data_1sgo_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 1sgo _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t0 . . . . . 0 C--O 1.235 0.315 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.508 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 18.7 tpp -70.41 -32.6 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.758 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -66.86 -41.9 86.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.152 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.4 tp -50.68 -59.8 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.031 174.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' O ' HG22 ' A' ' 40' ' ' VAL . 6.4 mm-40 -61.32 -33.86 74.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.441 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.459 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -64.24 -54.19 37.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.23 -177.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.46 -25.04 67.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.4 -44.64 67.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.531 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 36' ' ' GLU . 58.6 t -64.18 -47.85 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.114 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 37' ' ' ALA . 79.1 t -54.36 -43.96 64.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.596 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -66.56 -38.85 87.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.419 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -75.62 -35.93 60.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.405 -170.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -105.53 8.67 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.42 -29.24 68.86 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -70.1 -22.55 63.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -172.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.13 8.44 42.99 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -171.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 34.8 m -140.35 -177.06 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -80.22 -55.58 4.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.158 0.504 . . . . 0.0 110.154 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -153.43 136.62 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.138 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.538 ' HE1' ' HB ' ' A' ' 68' ' ' VAL . 18.7 ttt -138.12 135.42 35.73 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -160.99 157.67 26.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.721 0.296 . . . . 0.0 110.466 -175.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.19 137.38 23.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.075 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.3 m -68.82 115.54 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.218 0.532 . . . . 0.0 110.587 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 75.3 tttt -96.6 3.68 52.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.497 -176.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -104.61 12.56 32.88 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.347 -173.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -135.12 -93.82 0.28 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.696 -176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -176.76 159.43 1.79 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.408 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.5 p -164.88 112.89 1.04 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -143.6 89.65 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.058 -174.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 33' ' ' MET . 32.1 m-20 68.13 -71.28 0.11 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.061 168.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -80.27 -28.55 38.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.081 0.467 . . . . 0.0 111.204 -175.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -135.18 138.28 48.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.082 0.467 . . . . 0.0 111.365 -173.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.34 133.02 20.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.998 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -94.69 128.97 41.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.066 0.46 . . . . 0.0 110.739 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.0 mt -119.44 155.86 21.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.445 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -128.51 139.14 52.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.065 0.46 . . . . 0.0 110.056 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.538 ' HB ' ' HE1' ' A' ' 51' ' ' MET . 7.7 p -129.78 131.97 66.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.932 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.512 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 45.7 tt0 -120.94 108.96 14.51 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.166 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 115' ' ' SER . 68.8 p -72.22 -179.23 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.836 -173.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.591 ' HB3' ' HZ3' ' A' ' 71' ' ' LYS . 7.2 mtpm? -67.87 -25.53 65.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.112 -175.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -94.42 18.06 11.88 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.941 0.401 . . . . 0.0 110.642 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.88 7.36 5.45 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.409 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -72.13 132.74 44.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' A' ' 92' ' ' PHE . 99.3 mtt180 -113.92 136.22 53.13 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.099 0.476 . . . . 0.0 111.222 -174.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -129.72 132.7 46.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.31 175.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.0 t -103.39 129.75 50.55 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 67.6 mt -118.45 128.69 54.84 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.129 0.49 . . . . 0.0 111.45 -171.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -93.65 98.35 11.08 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.508 ' HG ' ' SD ' ' A' ' 33' ' ' MET . 40.1 tp -81.23 121.95 26.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.91 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -142.84 -174.92 4.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.935 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -13.75 62.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.842 0.354 . . . . 0.0 110.962 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.28 -3.28 58.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.513 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.71 -147.0 16.61 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.834 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.45 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.2 mp -104.04 114.48 28.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 0.0 110.082 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.738 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 55.3 tttt -112.71 113.14 25.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.541 -176.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.644 HG11 ' HB ' ' A' ' 101' ' ' THR . 4.0 p -66.27 123.55 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.021 0.439 . . . . 0.0 109.952 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.497 ' HB ' HG12 ' A' ' 95' ' ' VAL . 6.2 m -119.32 4.63 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.435 -177.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.566 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -177.19 160.01 26.67 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.505 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -121.16 29.48 7.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.436 0.636 . . . . 0.0 110.138 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.407 ' HB3' ' HB2' ' A' ' 94' ' ' GLN . . . -147.27 167.08 25.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.449 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.516 ' HB2' ' HD3' ' A' ' 75' ' ' ARG . 35.2 t80 -69.24 116.67 9.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.728 0.299 . . . . 0.0 110.903 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 65.14 30.97 11.26 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.903 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.747 HE21 ' HA ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -99.26 112.37 24.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.223 178.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.497 HG12 ' HB ' ' A' ' 88' ' ' VAL . 95.6 t -131.96 116.01 28.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.152 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.616 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 25.8 t70 -106.93 137.13 45.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.329 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.76 -10.15 59.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.29 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -104.1 1.57 31.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.616 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 19.6 mt -76.24 112.95 13.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.377 0.608 . . . . 0.0 110.981 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.14 30.46 1.9 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.273 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.644 ' HB ' HG11 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -66.02 132.88 94.69 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.619 -178.639 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.04 136.94 54.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.221 2.614 . . . . 0.0 113.936 -173.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.738 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 1.2 p90 -92.04 144.24 25.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.566 175.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -106.31 168.97 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.612 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.505 ' HG3' HG21 ' A' ' 106' ' ' THR . 16.8 tp10 -69.44 -64.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.903 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.505 HG21 ' HG3' ' A' ' 105' ' ' GLU . 81.4 p -118.26 176.63 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 -177.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.1 p -71.51 -26.84 27.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.348 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -65.15 -58.82 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.61 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.2 m -69.62 -4.19 18.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.667 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.466 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 54.9 tp -96.62 -60.76 1.54 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 0.0 110.812 177.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.0 tp -69.0 -20.28 64.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.121 -173.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.15 -25.67 65.39 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 122.249 1.024 . . . . 0.0 108.981 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.89 -19.61 18.72 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.543 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 89.7 mt -84.49 -29.93 25.61 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.271 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.482 ' HB2' HG22 ' A' ' 70' ' ' THR . 38.6 t -145.19 116.4 5.13 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.391 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.14 -25.63 72.87 Favored 'Trans proline' 0 CA--C 1.527 0.13 0 C-N-CA 122.523 2.149 . . . . 0.0 111.309 175.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.44 -33.06 74.87 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.574 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -60.97 -38.82 87.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.072 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -67.69 -41.69 83.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.33 -37.55 83.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.338 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.42 -39.12 93.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.541 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 85.3 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.996 175.819 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.579 ' HB2' ' CB ' ' A' ' 35' ' ' LEU . 2.8 m-20 . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.659 0.266 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.8 tpp -65.7 -32.13 73.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.243 0.544 . . . . 0.0 110.155 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -72.38 -32.49 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.93 178.398 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.579 ' CB ' ' HB2' ' A' ' 32' ' ' ASP . 17.7 tp -57.08 -57.06 14.21 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.639 176.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.27 -34.16 77.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.474 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -61.45 -51.69 67.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.465 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.71 -40.47 92.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.226 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.26 74.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.279 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.77 -41.56 85.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.728 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 42.0 t -53.88 -37.49 33.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.309 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -29.37 37.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.844 0.354 . . . . 0.0 111.521 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -80.34 -48.8 12.42 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -172.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -100.44 5.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.728 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 7.3 tt -62.08 -27.71 69.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 110.251 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.58 -19.79 65.12 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.307 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 118' ' ' TYR . . . -88.01 -22.89 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.197 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.52 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 26.9 m -122.45 -168.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.69 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -93.89 -48.93 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.119 0.485 . . . . 0.0 110.979 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -144.77 145.05 31.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.342 -173.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.504 ' HG2' HG23 ' A' ' 68' ' ' VAL . 73.1 mtp -142.7 116.45 9.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -145.17 134.25 22.67 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.83 HG12 HG12 ' A' ' 66' ' ' ILE . 19.5 m -73.51 153.5 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.84 0.352 . . . . 0.0 111.059 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.446 ' HB3' ' OD1' ' A' ' 93' ' ' ASP . 15.1 m -72.29 167.49 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.268 -175.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.496 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 14.1 tmtt? -130.77 -23.1 2.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -177.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.0 m -91.09 16.1 10.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.413 0.625 . . . . 0.0 110.428 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mp -127.84 -102.7 0.33 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.104 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -174.91 150.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 110.356 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 p -141.51 78.79 1.65 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.572 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.1 22.52 5.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.227 -172.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.507 ' OD1' ' HB3' ' A' ' 34' ' ' ARG . 38.6 m-20 74.62 -4.96 2.22 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.429 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -96.85 -26.92 14.92 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 169.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.6 p -142.68 147.19 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.199 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.13 125.4 11.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.685 0.279 . . . . 0.0 110.897 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -99.06 123.18 43.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.381 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.83 HG12 HG12 ' A' ' 53' ' ' VAL . 40.3 mt -115.05 133.63 60.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.56 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.436 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 13.4 m120 -103.08 116.56 32.74 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 51' ' ' MET . 7.7 p -114.25 128.96 71.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.54 -175.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.6 tt0 -109.14 114.07 27.46 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.853 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.0 p -65.03 173.19 2.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.131 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 97.4 mttt -80.13 -1.14 38.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.312 0.577 . . . . 0.0 111.054 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -96.03 7.42 46.44 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 ttt-85 63.69 15.7 9.16 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.748 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -83.24 112.06 19.52 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' HD3' ' CE2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -97.08 140.43 31.61 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.899 -174.104 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 82.8 m-85 -131.43 161.11 33.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.747 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.0 m -109.62 121.96 46.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.164 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 71.9 mt -110.13 126.86 54.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.814 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -94.77 106.35 18.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.084 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.422 HD13 ' HG ' ' A' ' 85' ' ' LEU . 62.8 tp -90.98 121.81 33.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.662 -177.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -137.81 -173.41 3.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.19 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.87 -8.78 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.097 0.475 . . . . 0.0 110.454 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.53 -17.68 35.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.149 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.46 -160.29 23.04 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.209 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.422 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.8 mp -101.76 115.92 31.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.864 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 26.4 tttm -113.39 115.91 28.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.818 -176.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.66 131.09 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.205 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.477 ' HB ' HG13 ' A' ' 95' ' ' VAL . 16.3 m -124.52 -5.86 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.59 175.81 47.2 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 119.663 -1.256 . . . . 0.0 113.194 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -131.06 66.88 1.53 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.3 0.572 . . . . 0.0 110.614 -179.504 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' A' ' 94' ' ' GLN . . . -174.91 -155.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.233 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.438 ' CE2' ' HD3' ' A' ' 75' ' ' ARG . 48.5 m-85 -108.63 128.05 54.5 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.446 ' OD1' ' HB3' ' A' ' 54' ' ' SER . 10.9 m-20 59.71 28.55 18.02 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.618 0.574 . . . . 0.0 111.392 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . 6.3 tp-100 -104.75 103.85 13.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 -176.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.477 HG13 ' HB ' ' A' ' 88' ' ' VAL . 94.9 t -117.4 117.49 55.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.469 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.477 ' HB3' HD11 ' A' ' 99' ' ' LEU . 47.9 t0 -125.0 137.64 54.24 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.533 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -85.75 0.4 52.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.946 0.403 . . . . 0.0 110.347 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.414 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 34.3 m-70 -82.84 -11.95 57.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.338 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.477 HD11 ' HB3' ' A' ' 96' ' ' ASP . 7.9 mp -92.28 112.41 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.007 0.432 . . . . 0.0 110.765 176.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -100.18 28.44 4.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.313 176.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.31 118.1 36.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.387 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.85 145.27 90.29 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.896 2.398 . . . . 0.0 112.588 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.864 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 10.0 p90 -80.8 148.23 30.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.872 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -107.92 143.9 35.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -72.78 -2.27 19.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.002 0.43 . . . . 0.0 111.6 -172.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.441 HG22 ' HB3' ' A' ' 109' ' ' SER . 0.0 OUTLIER -155.01 147.54 24.17 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.349 -176.71 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.84 -24.43 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.708 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -71.58 -45.75 61.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.009 0.433 . . . . 0.0 110.361 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.441 ' HB3' HG22 ' A' ' 106' ' ' THR . 26.3 t -67.1 -22.88 65.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.963 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.505 ' O ' HG23 ' A' ' 113' ' ' THR . 58.3 tp -86.96 -54.08 4.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.352 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.68 -21.81 66.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.9 0.381 . . . . 0.0 110.723 -175.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.65 -39.5 80.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.885 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 110' ' ' LEU . 11.3 t -91.84 -10.78 38.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 -176.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.2 mt -92.91 -24.54 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.539 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.412 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 50.2 m -148.58 123.57 4.99 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.756 0.312 . . . . 0.0 111.779 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 21.8 Cg_endo -64.13 -25.39 65.62 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.151 1.9 . . . . 0.0 110.626 170.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 120' ' ' GLU . . . -65.9 -22.13 66.49 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.802 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.495 ' HA ' ' HB2' ' A' ' 47' ' ' ALA . 68.3 t80 -64.15 -40.65 96.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.427 0.632 . . . . 0.0 109.466 174.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -80.33 -30.5 38.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.738 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 117' ' ' ALA . 1.2 mp0 -60.71 -51.9 67.38 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.992 169.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.41 97.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.179 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 63.7 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.291 . . . . 0.0 110.387 179.803 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 66.0 t0 . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.511 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 22.9 ttm -77.14 -18.83 57.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.15 0.5 . . . . 0.0 109.881 -177.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.546 ' HB3' ' OD1' ' A' ' 32' ' ' ASP . 22.3 ttp180 -66.64 -29.92 70.07 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 172.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.576 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 5.5 tp -67.29 -50.5 60.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.774 173.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' O ' HG21 ' A' ' 40' ' ' VAL . 6.2 mm-40 -57.69 -30.72 65.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.845 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.462 ' O ' HG21 ' A' ' 41' ' ' VAL . . . -64.93 -54.65 27.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.263 -175.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.93 -26.71 68.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.796 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.67 -46.11 63.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.505 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 44' ' ' VAL . 55.5 t -63.94 -45.07 97.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.576 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 54.8 t -52.25 -41.3 33.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.515 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.78 -29.59 56.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -78.68 -53.46 7.13 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 40' ' ' VAL . 33.4 m -84.22 4.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.874 0.369 . . . . 0.0 111.306 -174.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 39.0 tp -60.46 -23.29 64.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.892 178.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -70.99 -24.71 62.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.992 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' A' ' 118' ' ' TYR . . . -85.68 -21.49 28.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 111.214 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 31.2 m -119.3 -168.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.533 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 10.4 t30 -100.95 -37.36 8.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 110.689 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.527 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 9.3 t30 -149.9 153.3 36.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.859 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.576 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 14.6 ttt -162.45 139.04 7.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -160.96 139.89 10.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.481 0.181 . . . . 0.0 110.539 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.612 HG11 HG12 ' A' ' 66' ' ' ILE . 15.4 m -77.53 122.48 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.546 ' HB2' HD13 ' A' ' 57' ' ' LEU . 54.7 m -70.72 128.31 35.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.04 0.448 . . . . 0.0 111.865 -171.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.74 -7.48 59.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.788 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 m -94.54 4.79 53.41 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.536 0.684 . . . . 0.0 109.575 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 54' ' ' SER . 68.0 mt -122.75 -163.56 1.11 Allowed 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.164 -175.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.453 ' HB3' ' CD2' ' A' ' 65' ' ' TYR . 16.0 tpt180 -110.3 138.77 46.24 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.876 -171.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 4.6 p -157.75 84.21 0.89 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.31 0.576 . . . . 0.0 110.164 174.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.24 -64.47 1.16 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.541 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.85 -56.54 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.554 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -89.45 2.8 54.02 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.059 0.457 . . . . 0.0 110.943 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.569 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.6 p -141.6 129.4 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.558 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.23 119.06 13.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.256 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.481 ' HB3' HD12 ' A' ' 57' ' ' LEU . 47.6 m-85 -86.46 113.81 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.125 0.488 . . . . 0.0 110.829 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.612 HG12 HG11 ' A' ' 53' ' ' VAL . 41.7 mt -117.74 145.35 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.455 -175.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.435 ' OD1' ' HA ' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -113.05 133.87 54.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.025 0.44 . . . . 0.0 110.389 174.588 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 p -126.69 141.01 47.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.141 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.633 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.2 tt0 -129.08 110.81 12.35 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.417 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.441 HG21 ' HB2' ' A' ' 115' ' ' SER . 53.1 p -66.34 178.19 1.28 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.164 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.533 ' HA ' ' HB2' ' A' ' 49' ' ' ASN . 97.1 mttt -69.89 -21.74 63.29 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.164 0.507 . . . . 0.0 110.074 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -75.87 -2.59 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.774 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 60.38 33.8 20.71 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.397 -173.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -92.03 117.83 30.2 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -96.59 130.3 43.81 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.945 0.402 . . . . 0.0 111.557 -169.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -120.36 144.92 47.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.824 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 38.7 t -110.43 123.62 50.22 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 175.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 67.5 mt -121.23 130.43 53.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.083 0.468 . . . . 0.0 111.757 -172.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -94.26 101.22 13.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HG ' ' SD ' ' A' ' 33' ' ' MET . 64.1 tp -84.03 107.87 16.64 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.063 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 38.0 p -126.51 178.72 5.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.014 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -69.83 -15.23 63.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.159 0.504 . . . . 0.0 109.822 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.35 -5.22 59.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.81 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.3 -165.27 12.25 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.933 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.6 mp -98.79 125.59 44.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.899 0.38 . . . . 0.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -114.93 120.55 40.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.54 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -73.54 109.33 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.427 0.632 . . . . 0.0 110.603 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.3 m -100.77 12.03 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.533 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.03 172.41 22.01 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.587 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -130.01 72.19 1.48 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.975 0.893 . . . . 0.0 110.572 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.53 160.37 10.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.327 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.435 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -72.96 116.57 13.63 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.07 0.462 . . . . 0.0 111.005 -175.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 69.63 29.39 4.24 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.082 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -103.87 123.68 47.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.947 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 56.7 t -132.29 108.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.825 0.345 . . . . 0.0 110.767 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.53 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 9.6 t70 -94.26 116.78 29.22 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -82.54 -3.74 56.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.009 -172.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -101.73 4.92 41.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.005 0.431 . . . . 0.0 110.84 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.53 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 73.5 mt -82.04 123.0 28.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.045 173.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -103.72 31.34 4.49 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.246 0.546 . . . . 0.0 109.937 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.467 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 5.3 p -50.23 133.51 24.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.635 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 26.9 Cg_exo -62.66 145.99 95.2 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.109 2.54 . . . . 0.0 112.724 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -81.95 151.13 27.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.423 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -121.89 139.25 53.88 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.85 -63.09 1.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.37 0.419 . . . . 0.0 111.485 -171.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.5 p -106.43 154.5 20.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.939 0.399 . . . . 0.0 111.611 -177.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.14 -30.62 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.922 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.625 ' HB3' ' HH ' ' A' ' 118' ' ' TYR . 94.1 m-85 -69.04 -47.92 64.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.598 -176.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.9 m -63.93 -31.92 73.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.676 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.93 -52.22 15.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.3 tp -60.72 -28.32 68.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.206 0.527 . . . . 0.0 110.02 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.12 -37.48 87.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.307 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.9 p -83.67 -10.35 58.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.666 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.7 mt -114.36 -17.28 11.83 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -169.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.441 ' HB2' HG21 ' A' ' 70' ' ' THR . 33.4 t -146.66 129.66 8.04 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.085 0.469 . . . . 0.0 111.763 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.86 -18.86 27.81 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.702 2.268 . . . . 0.0 111.598 173.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.502 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . . . -68.18 -29.8 68.75 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.491 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.625 ' HH ' ' HB3' ' A' ' 108' ' ' TYR . 68.7 t80 -61.32 -42.85 99.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.804 174.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -73.64 -26.46 60.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.733 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.75 -58.33 6.56 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.31 69.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.556 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 75.7 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.499 178.222 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 CA--C 1.518 -0.286 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.3 tpp -62.89 -19.98 64.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.618 0.723 . . . . 0.0 109.284 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -56.17 -32.82 64.67 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.15 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.73 -50.64 41.51 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.196 0.522 . . . . 0.0 109.994 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.61 -28.99 70.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.625 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 41' ' ' VAL . . . -64.25 -50.77 66.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.454 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.75 -29.56 69.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.999 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.36 92.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.012 0.434 . . . . 0.0 109.921 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.432 HG12 HG21 ' A' ' 107' ' ' VAL . 73.1 t -62.34 -46.98 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.848 175.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 37' ' ' ALA . 58.3 t -52.3 -51.82 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.604 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -80.63 2.2 26.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.997 -174.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -100.92 -52.3 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.988 0.423 . . . . 0.0 110.485 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -89.16 2.48 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.733 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 66.6 tp -56.89 -35.88 69.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.221 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -79.63 -7.59 58.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.983 0.421 . . . . 0.0 111.166 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.56 -13.67 21.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.128 0.49 . . . . 0.0 110.834 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.1 m -122.71 -168.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.598 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -98.02 -38.84 9.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.77 0.319 . . . . 0.0 111.079 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.522 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 50.1 t30 -145.37 148.44 33.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.491 ' HG2' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -164.9 118.62 1.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -175.034 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -162.7 162.93 27.1 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.781 0.324 . . . . 0.0 111.117 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.99 149.59 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.429 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.58 ' HA ' HD21 ' A' ' 67' ' ' ASN . 41.0 m -62.98 149.02 45.88 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.955 0.407 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -112.85 -13.09 13.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.394 -174.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.2 m -104.99 11.72 33.13 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.826 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mp -135.94 -157.2 0.77 Allowed 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.27 0.557 . . . . 0.0 110.131 -176.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -136.26 157.11 47.6 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.88 -174.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.1 p -112.27 91.17 3.56 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.81 80.96 5.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.588 -173.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.77 -83.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.06 0.85 . . . . 0.0 111.761 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.578 ' O ' ' HA ' ' A' ' 81' ' ' THR . 25.5 t70 -85.63 -22.45 27.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -171.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -105.3 126.97 60.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.282 0.563 . . . . 0.0 111.507 -176.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.26 118.88 19.09 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.39 173.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.419 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 82.1 m-85 -87.21 133.78 33.62 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.424 HG21 ' HE3' ' A' ' 51' ' ' MET . 33.2 mt -129.96 144.86 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.426 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.58 HD21 ' HA ' ' A' ' 54' ' ' SER . 58.7 m-80 -105.35 139.09 40.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.391 . . . . 0.0 110.177 174.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.491 HG21 ' HG2' ' A' ' 51' ' ' MET . 7.4 p -133.14 134.13 57.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.061 0.458 . . . . 0.0 110.616 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.522 ' HB3' ' HB3' ' A' ' 50' ' ' ASN . 36.1 tt0 -117.5 102.5 9.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.072 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 115' ' ' SER . 74.1 p -70.51 -177.26 1.44 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.487 -175.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -77.97 -20.61 52.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.844 0.354 . . . . 0.0 111.115 -176.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.551 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 1.3 mp0 -84.54 3.04 38.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 171.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 64.45 35.24 9.67 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.087 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.551 ' ND2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 m-80 -89.76 132.4 35.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 172.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -95.59 135.09 37.7 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 177.496 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.464 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 87.9 m-85 -129.41 142.03 50.9 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.778 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.0 m -104.36 119.76 39.68 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.45 HD22 HD21 ' A' ' 110' ' ' LEU . 58.6 mt -111.32 133.94 53.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.28 0.562 . . . . 0.0 111.402 -173.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.435 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 32.6 tt0 -100.95 98.27 8.76 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.037 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.54 HD13 ' HG ' ' A' ' 85' ' ' LEU . 57.7 tp -87.07 118.65 26.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 21.0 p -140.52 -172.21 3.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.375 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.44 -24.63 56.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.941 0.401 . . . . 0.0 111.075 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.95 0.84 56.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.567 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.21 -146.04 16.37 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.894 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.54 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.1 mp -107.14 123.03 47.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.453 0.644 . . . . 0.0 110.948 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.524 ' HB2' ' CD2' ' A' ' 103' ' ' TYR . 62.7 tttt -113.89 150.82 33.1 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.781 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.666 ' HB ' ' OG1' ' A' ' 101' ' ' THR . 66.0 t -97.56 125.05 50.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.528 ' HB ' HG11 ' A' ' 95' ' ' VAL . 25.0 m -114.02 4.39 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.755 0.312 . . . . 0.0 111.643 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.493 ' HA2' HD23 ' A' ' 99' ' ' LEU . . . 163.4 165.67 20.94 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.101 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -125.75 75.71 1.51 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.009 0.909 . . . . 0.0 110.539 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.408 ' HB2' ' CB ' ' A' ' 94' ' ' GLN . . . -166.11 -173.95 2.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.387 -1.279 . . . . 0.0 108.355 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -93.07 110.0 21.48 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 55.83 69.57 0.72 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.932 -174.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 9.2 tp-100 -143.9 104.48 4.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.247 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.528 HG11 ' HB ' ' A' ' 88' ' ' VAL . 85.6 t -105.67 121.58 58.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.012 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -124.88 125.21 43.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.144 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.52 -4.43 26.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.827 -176.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -77.17 -19.11 57.24 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.493 HD23 ' HA2' ' A' ' 89' ' ' GLY . 7.8 mp -103.78 111.67 24.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.689 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.12 37.3 4.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.892 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.666 ' OG1' ' HB ' ' A' ' 87' ' ' VAL . 2.2 p -48.48 138.76 11.36 Favored Pre-proline 0 C--O 1.234 0.256 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.633 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -52.67 138.56 58.87 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.89 3.06 . . . . 0.0 113.613 -171.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.524 ' CD2' ' HB2' ' A' ' 86' ' ' LYS . 70.2 m-85 -62.77 129.41 40.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.049 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -97.01 144.43 26.91 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 121.049 -0.261 . . . . 0.0 110.41 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.05 -42.61 84.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.037 -172.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 61.8 p -130.34 162.22 29.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.518 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.432 HG21 HG12 ' A' ' 40' ' ' VAL . 11.4 p -69.66 -26.84 31.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 109.723 175.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -64.72 -48.53 74.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.953 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 113' ' ' THR . 27.2 t -68.45 -29.13 67.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.655 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.45 HD21 HD22 ' A' ' 78' ' ' LEU . 35.4 tp -72.36 -57.85 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.505 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.66 -24.5 67.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.7 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.42 -33.21 75.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.764 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 109' ' ' SER . 63.1 p -86.92 -10.05 54.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.364 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.6 mt -113.59 -28.38 7.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -171.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.472 ' HB3' HG21 ' A' ' 70' ' ' THR . 20.0 p -137.29 126.7 15.3 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.574 0.226 . . . . 0.0 111.065 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -73.08 -23.97 17.67 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.765 2.31 . . . . 0.0 112.946 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.91 -6.14 58.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.674 0.274 . . . . 0.0 111.113 -177.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.31 -50.98 69.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.156 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.92 -24.87 65.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.149 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -80.56 -37.99 30.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.94 -0.28 50.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.279 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.9 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.953 -179.672 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.733 ' HA ' ' HA ' ' A' ' 61' ' ' ASP . 45.1 m-20 . . . . . 0 C--O 1.234 0.283 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.44 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 33.4 tpp -71.77 -24.54 61.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.582 ' HD3' ' SG ' ' A' ' 59' ' ' CYS . 11.5 mmm180 -56.31 -38.48 71.33 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.448 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 32' ' ' ASP . 5.8 mt -62.94 -57.09 11.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.313 0.577 . . . . 0.0 110.434 -176.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -68.0 -24.06 65.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.093 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -65.92 -52.02 53.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.2 -31.56 72.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.594 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.06 90.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.242 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.79 -47.17 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.738 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.516 HG12 ' HB2' ' A' ' 51' ' ' MET . 76.7 t -53.42 -47.0 59.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.329 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -86.46 4.71 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.891 0.377 . . . . 0.0 111.564 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -101.37 -50.85 3.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.634 0.254 . . . . 0.0 111.067 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -104.38 17.38 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.48 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 51.8 tp -52.78 -37.28 59.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.125 -177.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -74.67 -14.68 60.78 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.496 ' O ' ' HE2' ' A' ' 71' ' ' LYS . . . -77.0 -24.66 52.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.191 0.519 . . . . 0.0 110.768 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.543 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.0 m -125.54 -167.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.799 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -76.78 -55.88 5.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -165.18 158.7 16.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.312 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.516 ' HB2' HG12 ' A' ' 41' ' ' VAL . 85.3 mtp -130.16 141.26 50.68 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -142.87 130.03 20.84 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.465 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.532 HG11 HG12 ' A' ' 66' ' ' ILE . 9.0 m -69.55 133.07 32.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.832 0.348 . . . . 0.0 110.542 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.4 ' HB3' HD11 ' A' ' 57' ' ' LEU . 35.7 m -63.42 142.8 58.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.865 -173.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -123.69 6.22 8.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.432 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 m -109.7 0.07 18.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.342 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 54' ' ' SER . 4.9 mp -120.83 -93.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.316 -174.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -169.3 159.45 8.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.582 ' SG ' ' HD3' ' A' ' 34' ' ' ARG . 11.6 p 176.74 155.94 0.26 Allowed 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 123.798 0.686 . . . . 0.0 110.38 171.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -172.36 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.316 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.733 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 22.0 p-10 -121.95 -52.78 1.98 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.643 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -83.78 -41.39 17.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.172 0.51 . . . . 0.0 111.201 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.476 HG13 ' HA ' ' A' ' 59' ' ' CYS . 3.7 p -111.91 139.89 34.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.584 -171.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.81 111.03 3.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.009 173.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -86.02 130.86 34.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.532 HG12 HG11 ' A' ' 53' ' ' VAL . 49.7 mt -126.95 132.33 70.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.56 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -97.88 120.23 37.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.436 HG21 ' HG2' ' A' ' 51' ' ' MET . 4.1 p -112.24 123.71 68.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.942 0.401 . . . . 0.0 110.566 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.543 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 8.3 tp10 -106.85 115.44 30.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.812 177.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.443 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 80.4 p -79.89 170.08 17.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.654 -177.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HE2' ' O ' ' A' ' 47' ' ' ALA . 66.9 mttm -66.06 -17.95 65.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.876 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -88.78 -6.14 57.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.12 23.51 2.66 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.838 0.828 . . . . 0.0 109.899 -175.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -102.19 105.6 16.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.259 173.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.718 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -108.33 150.54 27.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.059 0.456 . . . . 0.0 111.259 -167.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -133.88 149.57 51.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.25 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 69.2 m -100.81 122.49 43.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.2 mt -107.25 131.03 54.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.037 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -93.42 107.26 19.12 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.4 tp -92.74 111.73 23.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.239 0.543 . . . . 0.0 109.912 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 p -140.42 -166.15 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.909 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.16 -9.87 58.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.992 0.425 . . . . 0.0 110.636 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.15 -4.24 59.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.293 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.78 -146.89 16.13 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.685 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.7 mp -102.91 110.26 22.11 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -113.66 110.21 19.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.028 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.64 127.71 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.162 0.506 . . . . 0.0 110.932 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.429 ' HB ' HG13 ' A' ' 95' ' ' VAL . 6.0 m -122.38 4.06 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.117 -175.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.596 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -172.72 158.6 28.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 119.942 -1.123 . . . . 0.0 113.243 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -114.75 18.2 16.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.257 0.551 . . . . 0.0 110.285 -178.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' A' ' 94' ' ' GLN . . . -142.63 162.7 34.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.363 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -67.39 129.56 40.28 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.493 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 63.67 22.97 13.34 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.011 0.819 . . . . 0.0 111.183 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.596 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 19.7 tp60 -106.18 109.2 21.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.51 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.429 HG13 ' HB ' ' A' ' 88' ' ' VAL . 60.8 t -131.65 127.66 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.835 0.35 . . . . 0.0 111.012 -177.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.52 ' OD2' ' HB3' ' A' ' 98' ' ' HIS . 5.1 t70 -136.81 113.81 10.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.468 177.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.76 -10.6 59.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.363 0.602 . . . . 0.0 111.087 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.52 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 19.8 t-80 -70.89 -18.52 62.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.008 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.33 115.08 6.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.799 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 100' ' ' GLN . 2.8 pt20 -93.25 42.44 1.1 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.821 0.82 . . . . 0.0 109.981 -179.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 6.8 p -69.46 138.8 88.97 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.546 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 14.1 Cg_exo -69.11 118.79 5.9 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.766 2.311 . . . . 0.0 111.991 178.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -80.38 162.47 24.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -126.07 155.41 41.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.563 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.72 -59.63 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.57 -172.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.7 p -102.45 158.42 16.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.052 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.6 p -71.84 -26.28 25.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.114 0.483 . . . . 0.0 109.967 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.565 ' HD1' ' HH ' ' A' ' 118' ' ' TYR . 87.7 m-85 -65.42 -56.19 13.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.502 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.8 p -63.05 -33.47 75.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.719 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 113' ' ' THR . 45.2 tp -63.58 -58.33 7.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.649 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.72 -18.05 65.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -81.27 -20.48 40.82 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 -177.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 63.7 m -90.3 -15.49 31.1 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 112.546 -2.115 . . . . 0.0 110.387 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 114' ' ' LEU . 3.8 mm? -102.79 -48.99 3.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.324 -174.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.7 m -126.09 133.58 25.08 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.699 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -75.06 -24.7 12.48 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.569 2.179 . . . . 0.0 111.832 176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.71 -8.65 53.69 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.565 ' HH ' ' HD1' ' A' ' 108' ' ' TYR . 59.4 t80 -60.61 -50.78 72.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.413 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -69.2 -23.58 63.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.913 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -67.32 -49.14 65.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.896 176.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.97 58.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.224 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 61.9 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.474 -179.36 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' OD2' ' HB3' ' A' ' 34' ' ' ARG . 24.3 t70 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.078 0.466 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 30.8 tpp -68.94 -12.58 61.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.04 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.54 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 59.6 ttp85 -71.09 -23.1 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.457 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.02 -45.45 77.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 40' ' ' VAL . 11.9 mm-40 -63.15 -30.37 71.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.3 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.447 ' O ' HG21 ' A' ' 41' ' ' VAL . . . -69.1 -49.15 59.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.409 -178.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 43.6 mm-40 -58.29 -40.75 82.75 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.299 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.12 84.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.795 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 44' ' ' VAL . 74.5 t -64.29 -49.46 80.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.137 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.57 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 73.0 t -56.05 -41.65 69.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.535 -177.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -77.27 -30.72 54.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.86 0.362 . . . . 0.0 111.147 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -75.68 -47.22 27.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.91 -172.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 40' ' ' VAL . 34.7 m -106.86 15.5 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.6 tp -55.94 -38.4 70.27 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.944 0.402 . . . . 0.0 111.698 -178.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.547 ' HE2' ' HA ' ' A' ' 122' ' ' PHE . 24.7 p90 -73.15 -10.66 60.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.403 -175.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 118' ' ' TYR . . . -83.88 -21.56 31.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 111.227 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.598 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 31.6 m -119.89 -167.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.376 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -84.54 -58.45 2.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -143.95 160.58 40.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.193 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.0 ttt -163.55 137.27 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.491 0.186 . . . . 0.0 110.694 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -162.34 149.73 13.88 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.497 HG21 ' HG3' ' A' ' 34' ' ' ARG . 7.4 p -61.85 145.87 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.405 ' HB3' HD11 ' A' ' 57' ' ' LEU . 31.6 m -63.02 137.39 58.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.019 0.438 . . . . 0.0 110.502 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -107.87 -4.1 18.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.503 -171.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -110.3 7.83 23.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.017 0.437 . . . . 0.0 110.974 -174.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 54' ' ' SER . 5.0 mp -128.97 -148.63 0.38 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.888 -174.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -142.19 161.55 37.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -171.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 24.7 p -132.61 95.35 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.442 0.639 . . . . 0.0 110.099 173.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.05 72.56 5.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.277 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 33' ' ' MET . 0.7 OUTLIER 60.21 -84.9 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.258 -176.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.614 ' O ' ' HA ' ' A' ' 81' ' ' THR . 21.3 t70 -66.33 -34.72 78.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.063 -171.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.571 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 6.5 p -107.16 122.4 61.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.987 0.422 . . . . 0.0 111.81 -174.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.02 127.38 32.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.021 172.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -89.8 129.81 36.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.047 0.451 . . . . 0.0 110.827 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 56.1 mt -115.66 138.25 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.377 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -104.09 132.1 50.68 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.6 p -141.84 141.11 29.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.085 0.469 . . . . 0.0 111.154 -173.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.598 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 44.9 tt0 -123.71 109.06 13.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.19 178.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 115' ' ' SER . 56.1 p -63.0 170.81 2.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.282 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -74.84 -2.64 27.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.754 0.312 . . . . 0.0 111.303 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -95.93 3.53 53.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 171.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 66.97 15.19 10.1 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.76 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 114.8 17.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 171.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.538 ' HD2' ' HD1' ' A' ' 92' ' ' PHE . 53.8 mtm180 -96.05 136.08 36.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.952 0.406 . . . . 0.0 110.42 -177.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -129.6 148.59 51.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.112 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 98.6 m -108.59 116.86 32.77 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 173.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.441 HD13 HD21 ' A' ' 110' ' ' LEU . 31.1 mt -106.15 132.99 51.56 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.701 -172.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -94.66 101.01 12.85 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.64 HD12 HD21 ' A' ' 85' ' ' LEU . 63.4 tp -87.12 115.49 24.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.294 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 9.5 p -124.87 164.88 19.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.036 174.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.04 -26.67 68.66 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.882 0.373 . . . . 0.0 111.012 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.75 -6.49 59.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 139.86 -176.84 20.96 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.204 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.64 HD21 HD12 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -127.42 145.71 50.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.76 0.314 . . . . 0.0 111.083 -178.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.53 160.81 35.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.109 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.1 t -87.59 110.83 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.12 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.516 ' HB ' HG13 ' A' ' 95' ' ' VAL . 17.8 m -109.59 1.55 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.028 0.442 . . . . 0.0 111.589 -178.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.563 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -165.94 162.51 36.0 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.015 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -137.76 45.8 2.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.703 0.763 . . . . 0.0 110.5 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -150.27 -167.59 2.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.544 176.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.538 ' HD1' ' HD2' ' A' ' 75' ' ' ARG . 4.9 t80 -95.12 104.44 16.32 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.84 62.92 1.19 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.23 -174.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.563 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 21.2 tm0? -143.71 115.53 8.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.497 -176.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.516 HG13 ' HB ' ' A' ' 88' ' ' VAL . 71.1 t -123.47 116.29 47.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.682 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.521 ' HB3' HD12 ' A' ' 99' ' ' LEU . 33.9 t70 -107.46 141.28 39.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.238 0.542 . . . . 0.0 111.349 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.93 -22.9 65.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.256 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.411 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 54.7 m80 -84.75 -8.87 58.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -170.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.521 HD12 ' HB3' ' A' ' 96' ' ' ASP . 8.5 mp -77.65 109.39 11.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.265 0.555 . . . . 0.0 110.61 175.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -107.09 70.75 0.81 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.21 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 13.1 p -93.54 157.14 38.97 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.55 -174.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 3.3 Cg_exo -80.53 -166.15 0.39 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.99 2.46 . . . . 0.0 111.307 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -107.32 167.74 9.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.284 0.564 . . . . 0.0 111.087 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -134.58 143.16 47.21 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 164.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.45 -61.25 1.99 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.231 0.539 . . . . 0.0 110.989 -174.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.0 m -122.95 150.68 42.65 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.503 -172.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.56 -25.67 37.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.871 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -63.91 -49.34 73.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.3 m -65.41 -38.74 90.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.068 0.461 . . . . 0.0 110.661 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.441 HD21 HD13 ' A' ' 78' ' ' LEU . 11.3 tp -63.94 -49.7 71.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.335 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.478 HD12 ' CG1' ' A' ' 48' ' ' VAL . 22.5 tp -62.54 -32.98 74.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -174.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.11 -39.55 93.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.171 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.9 p -67.35 -19.57 65.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.248 0.547 . . . . 0.0 111.073 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 47.7 mt -104.08 -45.38 4.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.149 -175.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.484 ' HB2' HG22 ' A' ' 70' ' ' THR . 22.9 t -125.86 99.0 32.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.297 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.93 -16.11 52.95 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.825 2.35 . . . . 0.0 112.169 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.44 -8.15 53.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.396 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.483 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 6.6 t80 -57.96 -45.08 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.459 175.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -70.1 -38.92 75.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.247 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.38 -50.35 68.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.941 0.401 . . . . 0.0 110.61 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.88 95.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.183 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.547 ' HA ' ' HE2' ' A' ' 46' ' ' PHE . 73.4 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.047 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.542 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 1.1 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.699 0.285 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.592 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 30.2 tpp -66.47 -18.31 65.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.419 . . . . 0.0 110.86 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 9.8 mtp180 -68.45 -27.72 66.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.6 -178.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 32' ' ' ASP . 6.6 mt -70.44 -46.6 63.55 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 176.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.93 -34.67 72.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.114 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.525 ' O ' HG21 ' A' ' 41' ' ' VAL . . . -67.03 -53.7 28.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.271 -176.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.3 -30.47 70.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.161 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.85 86.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.338 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.474 HG12 HG13 ' A' ' 107' ' ' VAL . 55.0 t -60.31 -45.71 95.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.997 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.656 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 85.0 t -53.08 -57.46 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.829 -177.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -70.46 -27.89 64.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.658 0.266 . . . . 0.0 111.334 -174.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -73.92 -49.18 25.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 m -116.38 19.6 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.656 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 8.4 tt -60.38 -32.78 71.63 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -65.25 -11.82 45.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.531 -175.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HA ' ' CB ' ' A' ' 121' ' ' ALA . . . -86.29 -10.45 54.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.683 0.278 . . . . 0.0 111.261 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.713 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.2 m -134.63 -168.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.149 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -81.96 -47.93 12.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.193 0.52 . . . . 0.0 110.267 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -160.57 154.82 23.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.04 -174.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 22.4 ttm -153.02 139.25 18.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -157.91 151.36 23.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.529 0.204 . . . . 0.0 110.581 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.0 p -76.86 141.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.369 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.456 ' CB ' HD22 ' A' ' 57' ' ' LEU . 13.9 m -80.84 122.03 26.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.11 0.481 . . . . 0.0 111.476 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -113.78 18.58 17.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.688 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -135.36 18.54 3.38 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -172.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 93' ' ' ASP . 7.1 tp -130.01 -83.95 0.54 Allowed 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 113.302 -1.772 . . . . 0.0 109.832 -162.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER 173.29 141.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 168.053 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.4 p -145.85 80.19 1.58 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.654 0.74 . . . . 0.0 111.456 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 62' ' ' ASP . . . -86.86 102.44 14.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 169.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 33' ' ' MET . 25.8 m-20 -32.67 -16.0 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -164.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 60' ' ' ALA . 9.7 t70 -64.56 -25.61 68.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 119.315 0.961 . . . . 0.0 109.106 166.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.2 p -142.12 142.07 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.233 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.67 123.78 8.81 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.497 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 47.0 m-85 -86.25 140.92 29.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.448 0.642 . . . . 0.0 111.404 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 55.2 mt -119.93 134.3 63.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.591 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.8 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 93.9 m-20 -96.29 106.25 18.44 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.911 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.49 ' HB ' ' HG3' ' A' ' 51' ' ' MET . 11.4 p -112.88 135.7 51.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.928 0.394 . . . . 0.0 110.337 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.713 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 26.8 tt0 -115.87 115.74 26.76 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.698 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.8 p -63.34 171.2 2.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -68.24 -14.56 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.715 0.293 . . . . 0.0 111.433 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -93.29 8.99 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.005 0.431 . . . . 0.0 110.292 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 71.64 6.78 5.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.426 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -77.71 122.95 26.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -96.45 146.4 24.81 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.044 0.449 . . . . 0.0 111.223 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -131.58 114.17 14.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.577 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.441 ' O ' HG23 ' A' ' 88' ' ' VAL . 13.9 t -81.64 108.51 15.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 78.6 mt -100.5 133.01 45.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.143 0.497 . . . . 0.0 111.436 -172.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.559 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 41.1 tt0 -93.53 98.82 11.43 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.196 176.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.39 114.63 20.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.851 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.43 HG23 ' HG2' ' A' ' 79' ' ' GLU . 26.1 p -132.94 179.63 6.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.178 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -72.38 -9.15 58.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.02 0.438 . . . . 0.0 110.618 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.34 0.86 46.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.62 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.46 -158.68 14.32 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.693 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.405 ' HB2' HD21 ' A' ' 110' ' ' LEU . 6.3 mp -110.51 127.13 55.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.03 0.443 . . . . 0.0 110.579 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.559 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 81.5 tttt -114.58 154.45 28.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.935 -178.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.524 ' HB ' ' OG1' ' A' ' 101' ' ' THR . 50.1 t -103.21 116.06 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 121.95 -0.469 . . . . 0.0 110.146 177.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.469 HG21 HG22 ' A' ' 95' ' ' VAL . 34.6 m -111.01 -11.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -168.96 163.11 36.9 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 119.578 -1.296 . . . . 0.0 113.327 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -99.76 11.21 39.83 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.77 173.01 12.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.927 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.8 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 46.2 m-85 -72.02 127.28 32.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.339 -178.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.557 ' HA ' HD23 ' A' ' 57' ' ' LEU . 1.7 m-20 64.14 24.36 13.43 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.227 0.537 . . . . 0.0 110.688 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.464 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 20.8 tp60 -100.86 103.45 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.129 -178.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.469 HG22 HG21 ' A' ' 88' ' ' VAL . 94.5 t -110.1 101.6 12.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.501 ' HB3' HD12 ' A' ' 99' ' ' LEU . 10.7 t70 -101.49 145.09 29.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.709 -173.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.83 -14.2 60.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.199 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -92.87 9.25 36.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.342 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 96' ' ' ASP . 6.7 mp -120.41 102.41 8.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.228 0.537 . . . . 0.0 111.824 174.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.22 40.26 3.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.594 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.524 ' OG1' ' HB ' ' A' ' 87' ' ' VAL . 46.7 p -54.75 151.62 14.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.838 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.38 120.5 8.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.905 2.403 . . . . 0.0 112.422 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -84.31 145.36 28.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.103 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -110.49 155.23 22.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.003 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.54 ' HG2' HG23 ' A' ' 106' ' ' THR . 0.0 OUTLIER -67.73 -38.01 82.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.787 -173.272 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.54 HG23 ' HG2' ' A' ' 105' ' ' GLU . 23.5 p -121.68 153.63 37.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.748 0.308 . . . . 0.0 111.429 -176.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.474 HG13 HG12 ' A' ' 40' ' ' VAL . 11.0 p -68.58 -27.12 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -62.19 -56.35 19.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.981 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.9 m -77.42 -3.16 38.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.528 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 85' ' ' LEU . 51.4 tp -95.98 -55.34 3.01 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.999 -0.438 . . . . 0.0 110.724 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' A' ' 114' ' ' LEU . 14.5 tp -62.33 -26.62 68.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.144 0.497 . . . . 0.0 109.88 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.64 -26.89 67.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.198 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 44.6 p -90.87 -2.41 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.347 0.594 . . . . 0.0 110.576 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 111' ' ' LEU . 37.8 mt -110.0 -35.55 6.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.923 -175.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -143.07 111.69 5.61 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.564 0.221 . . . . 0.0 110.945 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.66 -21.79 48.98 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.242 2.628 . . . . 0.0 113.078 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.96 -6.4 38.4 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.656 0.265 . . . . 0.0 111.277 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.408 ' CD1' HD21 ' A' ' 111' ' ' LEU . 77.8 t80 -57.24 -54.9 41.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.531 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -63.45 -41.67 98.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.193 -175.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -62.14 -48.18 81.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.243 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 47' ' ' ALA . . . -61.35 -46.1 91.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.104 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 CA--C 1.52 -0.19 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 19.5 tpp -63.14 -34.02 76.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.156 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -37.79 76.55 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -58.24 -59.56 5.13 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.882 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' O ' HG22 ' A' ' 40' ' ' VAL . 13.6 mm-40 -61.09 -29.52 69.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.583 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.489 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -63.29 -40.84 98.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.259 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -59.68 -45.38 92.25 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.038 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.42 85.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.815 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.495 HG13 HG13 ' A' ' 107' ' ' VAL . 54.7 t -58.45 -52.01 64.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.654 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 37' ' ' ALA . 94.5 t -57.54 -41.15 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.86 -175.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -81.15 -16.4 53.05 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -91.74 -48.01 7.04 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.513 -176.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 40' ' ' VAL . 32.6 m -94.23 5.74 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 62.8 tp -57.56 -29.23 64.24 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 111.8 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -71.76 -21.35 61.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.338 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.25 -5.68 58.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.917 0.389 . . . . 0.0 111.483 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.646 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.7 m -132.42 -170.8 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.165 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -89.43 -60.07 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.055 0.455 . . . . 0.0 109.861 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.69 156.54 48.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.94 -177.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.2 ttt -166.49 132.36 2.35 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -158.58 154.86 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.936 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.548 HG12 HG12 ' A' ' 66' ' ' ILE . 14.3 m -72.88 131.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.607 ' CB ' HD12 ' A' ' 57' ' ' LEU . 20.3 m -67.13 130.35 42.84 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.315 0.579 . . . . 0.0 111.215 -174.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -105.65 7.46 32.69 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.271 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.446 ' HB3' ' OD1' ' A' ' 93' ' ' ASP . 46.3 t -106.24 -0.81 24.19 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 173.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.607 HD12 ' CB ' ' A' ' 54' ' ' SER . 40.2 mt -114.22 -153.49 0.52 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.057 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.0 ptt-85 -131.9 147.94 52.5 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.997 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.5 m -153.81 151.75 29.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.039 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.84 -77.8 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.334 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' ' 33' ' ' MET . 18.1 p30 -148.98 -41.37 0.15 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.21 -175.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.16 -37.31 54.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.16 0.505 . . . . 0.0 111.299 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 p -131.04 147.57 33.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.032 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' A' ' 80' ' ' LEU . . . -142.63 108.66 5.2 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.033 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.481 ' HB3' HD11 ' A' ' 57' ' ' LEU . 42.1 m-85 -86.53 111.44 20.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.056 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.548 HG12 HG12 ' A' ' 53' ' ' VAL . 53.2 mt -117.09 133.39 63.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.037 -176.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -100.34 126.83 46.74 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.4 p -131.37 148.33 32.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.318 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.646 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 35.7 tt0 -134.1 115.39 14.22 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.6 p -64.61 169.43 4.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.74 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -69.89 -13.91 62.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.136 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -86.7 10.89 14.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.586 174.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 67.05 19.45 10.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.149 173.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -103.62 130.25 51.02 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.672 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -103.95 151.89 22.64 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.464 -172.438 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -137.54 144.97 42.37 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.655 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.6 m -101.54 120.15 39.86 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 169.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.498 ' CD2' HG13 ' A' ' 87' ' ' VAL . 60.9 mt -104.02 127.13 51.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.896 0.379 . . . . 0.0 111.034 -175.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -94.39 95.6 8.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.471 HD13 ' HG ' ' A' ' 85' ' ' LEU . 61.5 tp -85.53 118.41 25.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.594 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 p -137.27 -179.13 5.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.343 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -77.14 2.54 14.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.009 0.433 . . . . 0.0 110.382 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.85 0.09 35.01 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.27 -176.79 16.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.296 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.471 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.1 mp -99.87 111.13 23.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.755 0.312 . . . . 0.0 110.363 178.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.591 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 25.3 ttpp -114.64 128.57 56.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.113 178.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.498 HG13 ' CD2' ' A' ' 78' ' ' LEU . 17.7 m -75.02 136.41 25.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.823 0.344 . . . . 0.0 110.097 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 95' ' ' VAL . 15.9 m -119.32 -1.52 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.572 -177.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.89 157.82 27.3 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.193 -1.004 . . . . 0.0 112.579 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.19 22.73 12.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.751 0.786 . . . . 0.0 110.219 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.41 -168.46 1.91 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.068 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -92.81 126.0 37.69 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.446 ' OD1' ' HB3' ' A' ' 56' ' ' SER . 35.2 m-20 59.33 52.73 5.74 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.755 0.659 . . . . 0.0 110.97 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -124.23 123.37 40.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.609 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 88' ' ' VAL . 93.3 t -128.95 108.71 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.043 0.449 . . . . 0.0 110.844 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.416 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 12.0 t70 -105.01 127.04 52.69 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.315 175.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -90.14 -11.58 40.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.114 0.483 . . . . 0.0 110.928 -174.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -78.73 -31.33 46.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.917 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.416 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 55.9 mt -53.94 120.86 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.863 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.2 86.75 2.41 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 173.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.8 p -107.46 149.26 38.6 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.463 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -65.62 114.05 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.124 1.883 . . . . 0.0 112.896 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.591 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 3.2 p90 -74.84 117.78 17.07 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.291 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -88.15 153.0 21.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.831 -172.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.52 ' HG2' HG23 ' A' ' 106' ' ' THR . 9.5 tt0 -49.75 -61.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 124.746 1.279 . . . . 0.0 111.702 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.52 HG23 ' HG2' ' A' ' 105' ' ' GLU . 5.2 p -130.62 166.2 21.17 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.827 -175.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.495 HG13 HG13 ' A' ' 40' ' ' VAL . 12.5 p -66.8 -27.97 41.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.008 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -66.56 -50.01 64.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.399 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 p -69.25 -36.28 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.45 -51.55 55.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.292 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.45 HD22 HG13 ' A' ' 48' ' ' VAL . 13.5 tp -65.0 -26.04 68.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 0.0 110.063 -176.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.76 -29.19 67.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.983 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.2 p -86.88 -11.43 50.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.355 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.9 mt -114.9 -26.51 7.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 117' ' ' ALA . 22.7 t -123.1 103.59 36.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.876 0.369 . . . . 0.0 110.483 -178.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.02 19.52 0.42 Allowed 'Trans proline' 0 N--CA 1.471 0.177 0 C-N-CA 123.415 2.743 . . . . 0.0 112.015 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 115' ' ' SER . . . -119.0 -0.14 11.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.793 172.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -65.04 -47.56 76.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.775 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.627 ' HD3' ' H ' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -62.83 -48.29 79.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.528 0.68 . . . . 0.0 109.713 -179.15 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -58.64 -47.26 85.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.964 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.17 94.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.3 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.281 179.425 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 12.0 m-20 . . . . . 0 CA--C 1.519 -0.213 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.45 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 33.8 tpp -63.52 -32.23 73.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.283 0.563 . . . . 0.0 109.858 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -68.69 -30.42 69.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.814 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.497 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 16.9 tp -67.04 -57.47 6.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.615 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 40' ' ' VAL . 47.2 mm-40 -59.18 -31.92 69.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.17 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.483 ' HB2' HD11 ' A' ' 66' ' ' ILE . . . -62.66 -48.69 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.81 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.35 -37.48 87.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.4 84.93 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.348 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.483 HG11 HG13 ' A' ' 107' ' ' VAL . 52.8 t -59.54 -49.69 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.164 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 62.0 t -56.06 -47.45 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.284 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.418 HD21 ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -67.27 -36.84 82.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.818 0.342 . . . . 0.0 110.593 -178.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.61 -48.82 65.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.723 -173.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 40' ' ' VAL . 35.9 m -103.5 16.45 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 111.713 -175.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.1 tp -56.75 -35.83 69.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.591 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -76.56 -9.89 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.457 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.32 -14.64 37.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.815 0.34 . . . . 0.0 111.322 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.58 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.0 m -126.88 -172.58 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.326 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -84.27 -54.83 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.248 0.547 . . . . 0.0 109.851 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -141.81 150.42 41.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.757 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.421 ' HB3' HG13 ' A' ' 41' ' ' VAL . 10.2 ttt -156.58 132.78 9.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -153.38 146.63 24.75 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 -177.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 m -68.51 -173.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.404 0.145 . . . . 0.0 111.173 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.851 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.2 m -51.1 111.22 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.234 0.54 . . . . 0.0 111.97 -175.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -82.25 -22.09 35.97 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.037 175.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.45 2.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.776 -173.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.851 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 3.3 mm? -98.87 -154.78 0.47 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.606 0.717 . . . . 0.0 109.55 -174.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.476 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 5.8 ptp180 -120.99 144.74 48.35 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.636 -1.165 . . . . 0.0 108.479 175.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 10.7 p -163.65 124.92 2.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.23 0.538 . . . . 0.0 110.781 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -163.09 -61.45 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.798 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 33' ' ' MET . 12.1 t70 -122.42 -69.54 0.82 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.595 -161.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.46 -20.46 15.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.654 -174.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 9.9 p -136.81 146.6 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.26 -174.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.469 ' HA ' ' HB3' ' A' ' 59' ' ' CYS . . . -158.77 115.9 2.79 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.116 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.538 ' CG ' ' HG ' ' A' ' 57' ' ' LEU . 66.9 m-85 -85.69 146.83 26.64 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.153 177.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.483 HD11 ' HB2' ' A' ' 37' ' ' ALA . 55.3 mt -133.1 127.32 54.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.12 0.486 . . . . 0.0 110.307 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.478 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 14.7 m120 -91.03 110.6 21.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.153 177.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.5 p -116.03 138.91 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.227 0.537 . . . . 0.0 111.397 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.58 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.0 tt0 -123.89 105.18 9.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.493 176.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.424 ' HA ' HG13 ' A' ' 48' ' ' VAL . 76.7 p -64.53 165.55 9.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.413 -176.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 68.3 mttm -65.05 -25.93 68.03 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.035 0.445 . . . . 0.0 110.481 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.1 mp0 -73.59 2.12 8.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.673 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 73.84 2.14 4.13 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.626 0.77 . . . . 0.0 110.944 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -76.37 135.1 39.51 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -113.28 128.83 56.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.124 -172.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -119.7 143.83 47.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.189 0.518 . . . . 0.0 111.202 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 37.1 t -104.52 108.41 19.83 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 171.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 88.1 mt -103.44 131.84 50.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.133 0.492 . . . . 0.0 111.574 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -99.33 100.73 11.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.012 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.524 HD13 ' HG ' ' A' ' 85' ' ' LEU . 52.4 tp -86.98 115.47 24.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.063 0.459 . . . . 0.0 110.188 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.0 p -123.34 -179.58 4.37 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.537 -0.756 . . . . 0.0 108.998 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -70.62 -15.29 62.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.429 0.633 . . . . 0.0 109.466 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.43 -21.25 39.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.768 176.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.76 -168.77 24.12 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.754 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.524 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.2 mp -96.85 121.52 38.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -113.05 141.72 46.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.265 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.5 t -86.33 111.98 22.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.6 m -108.61 -1.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.15 155.63 19.62 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.814 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -102.56 23.02 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 110.658 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -150.84 165.47 33.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.592 177.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 24.4 m-85 -70.21 134.01 47.64 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.964 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 65.98 27.68 10.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.323 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -111.88 113.01 25.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.8 t -117.57 99.84 8.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.364 174.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -97.82 127.35 43.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.282 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -85.4 5.44 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.776 -174.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -93.22 -25.22 17.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.0 mt -69.12 125.57 27.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.123 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -114.71 26.95 9.79 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 174.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.19 125.48 50.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.977 -177.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.27 134.81 54.28 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 123.033 2.489 . . . . 0.0 112.804 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -89.88 159.5 16.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.81 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -123.78 142.67 50.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -62.74 -52.69 62.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.727 0.298 . . . . 0.0 111.598 -174.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 56.2 p -106.82 151.65 24.92 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.905 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.483 HG13 HG11 ' A' ' 40' ' ' VAL . 9.6 p -63.82 -28.19 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 177.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -63.67 -54.29 37.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.9 m -72.28 -2.67 19.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.529 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 53.8 tp -97.11 -59.19 1.84 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.956 0.407 . . . . 0.0 110.976 174.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.533 HD21 ' CD1' ' A' ' 118' ' ' TYR . 10.8 tp -73.21 -19.46 61.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.549 -170.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.42 ' OD1' ' HB3' ' A' ' 119' ' ' ARG . 31.9 t70 -82.59 -20.32 36.7 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.895 1.331 . . . . 0.0 107.558 -175.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.1 m -88.52 -16.07 33.61 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 112.734 -2.03 . . . . 0.0 110.003 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 93.0 mt -100.59 -59.88 1.62 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.26 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 65.2 m -102.31 127.03 31.56 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 112.074 -173.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -66.09 -32.86 42.68 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.656 2.237 . . . . 0.0 111.45 172.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.5 -20.56 63.71 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.159 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.533 ' CD1' HD21 ' A' ' 111' ' ' LEU . 66.8 t80 -58.95 -62.59 1.77 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.462 177.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.431 ' HA ' ' HB3' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -67.43 -21.46 65.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -177.001 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.86 -51.35 65.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.758 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.74 -30.81 46.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.946 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.431 ' HB3' ' HA ' ' A' ' 119' ' ' ARG . 57.0 t80 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.593 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 45.6 t0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.498 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 28.6 tpp -69.65 -23.38 63.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.366 0.603 . . . . 0.0 110.278 -177.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -69.97 -30.96 68.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.863 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 16.5 tp -66.81 -53.48 32.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.2 175.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.41 -29.05 65.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.369 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.404 ' O ' HG21 ' A' ' 41' ' ' VAL . . . -65.65 -47.79 74.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.352 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.14 -36.73 66.1 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.97 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.43 -53.26 20.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.446 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.473 HG11 HG12 ' A' ' 107' ' ' VAL . 86.4 t -60.64 -43.31 94.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.511 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 46.6 t -53.39 -46.32 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.939 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -91.67 -1.66 57.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 111.163 -174.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -88.37 -41.7 12.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.204 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.54 14.07 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 6.8 tt -57.82 -37.76 74.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.706 -174.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -73.66 -0.27 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.82 -19.13 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.079 0.466 . . . . 0.0 110.253 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 30.3 m -124.81 -167.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.631 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -80.86 -55.25 4.93 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.522 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -163.24 154.7 17.25 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.781 0.324 . . . . 0.0 111.184 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.507 ' HB2' HG13 ' A' ' 41' ' ' VAL . 88.5 mtp -134.96 142.05 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -154.49 138.26 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -178.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.17 138.33 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.828 0.347 . . . . 0.0 111.101 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.1 m -72.71 112.31 8.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.036 0.446 . . . . 0.0 110.31 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.55 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 1.7 tmtp? -86.55 -12.99 47.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 -174.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -89.98 3.34 53.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.074 0.464 . . . . 0.0 110.819 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.568 HD22 ' CG2' ' A' ' 95' ' ' VAL . 5.9 mp -120.7 -100.37 0.43 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.862 -175.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -166.65 158.16 12.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 0.0 110.974 -171.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.5 p -159.2 73.76 0.61 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.6 172.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.2 -54.18 5.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.93 -170.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.08 -76.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.499 -175.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.573 ' OD1' ' HB2' ' A' ' 82' ' ' GLU . 20.0 t70 -94.56 -15.78 23.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.863 0.363 . . . . 0.0 111.391 -176.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.0 p -105.36 128.81 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.175 0.512 . . . . 0.0 111.253 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.91 124.16 11.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.685 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.438 ' CG ' HD21 ' A' ' 57' ' ' LEU . 90.3 m-85 -93.15 129.92 38.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.882 0.372 . . . . 0.0 110.39 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 57.5 mt -119.45 129.83 74.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.961 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -88.34 129.15 35.47 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.128 173.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.6 p -128.41 119.97 51.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.282 0.563 . . . . 0.0 109.986 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.464 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 31.7 tt0 -102.92 111.47 23.82 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.558 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 p -70.7 178.85 2.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.566 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.529 ' HZ3' ' HB3' ' A' ' 121' ' ' ALA . 91.4 mttt -65.01 -11.43 38.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.941 0.4 . . . . 0.0 110.675 176.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.75 -16.4 61.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.393 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? 70.69 16.41 6.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.459 -174.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -98.25 135.26 40.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 2.8 mpt_? -97.37 141.86 29.95 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -127.28 142.09 51.55 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 95.1 m -103.85 120.04 40.18 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.118 0.485 . . . . 0.0 110.637 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.1 mt -108.1 131.72 54.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.604 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -93.78 97.82 10.68 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.556 HD13 ' HG ' ' A' ' 85' ' ' LEU . 55.4 tp -84.19 121.43 27.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.937 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 19.4 p -142.93 178.51 7.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.324 -178.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . 35.8 tt0 -56.13 -33.0 64.76 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.371 176.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.61 -7.28 58.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.675 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.79 -160.9 15.06 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.533 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.556 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.4 mp -101.41 127.54 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.695 0.283 . . . . 0.0 110.672 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -116.99 146.78 42.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.16 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.507 ' HB ' HG21 ' A' ' 101' ' ' THR . 56.6 t -90.74 115.14 29.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.522 ' HB ' HG13 ' A' ' 95' ' ' VAL . 21.5 m -117.35 8.79 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -175.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.11 160.66 14.7 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.512 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -125.53 62.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.47 0.653 . . . . 0.0 111.596 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 94' ' ' GLN . . . -159.2 -169.37 2.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.998 172.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -96.49 107.15 19.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 66.73 44.5 2.15 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.725 0.641 . . . . 0.0 110.865 -176.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.529 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 24.3 tt0 -129.26 133.76 47.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.881 178.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.568 ' CG2' HD22 ' A' ' 57' ' ' LEU . 94.8 t -124.92 102.79 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.226 0.536 . . . . 0.0 110.682 -177.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.498 ' HB2' HD13 ' A' ' 99' ' ' LEU . 15.0 m-20 -82.41 158.83 23.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.041 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -101.99 -31.87 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -171.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -82.02 -3.6 54.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -170.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.498 HD13 ' HB2' ' A' ' 96' ' ' ASP . 8.1 mp -78.39 101.94 7.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.164 0.507 . . . . 0.0 110.515 176.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -104.4 87.34 2.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.556 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.507 HG21 ' HB ' ' A' ' 87' ' ' VAL . 3.9 t -127.09 141.23 40.08 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.57 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.74 169.26 19.29 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.509 2.14 . . . . 0.0 111.806 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.44 152.5 19.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -112.03 141.45 45.69 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -62.82 -61.76 2.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.42 0.45 . . . . 0.0 111.686 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.4 p -100.36 141.45 33.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.011 0.434 . . . . 0.0 111.539 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.473 HG12 HG11 ' A' ' 40' ' ' VAL . 11.2 p -63.45 -25.31 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.502 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -62.49 -54.58 37.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.074 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.2 m -61.74 -38.41 87.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.463 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 51.0 tp -63.76 -56.55 14.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.694 -177.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.445 HD23 HG12 ' A' ' 48' ' ' VAL . 36.0 tp -68.74 -25.43 64.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 111.209 -174.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -81.59 -30.64 32.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.508 1.147 . . . . 0.0 108.154 -175.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.1 m -66.07 -28.47 68.86 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 113.191 -1.822 . . . . 0.0 110.468 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 87.4 mt -85.76 -63.09 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.669 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.7 p -113.32 109.6 51.37 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.361 -175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.15 -15.1 37.51 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 123.037 2.491 . . . . 0.0 112.138 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.0 -12.24 47.99 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.76 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -55.65 -49.22 73.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.621 176.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -63.4 -40.8 98.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.231 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -69.09 -40.31 78.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.962 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.529 ' HB3' ' HZ3' ' A' ' 71' ' ' LYS . . . -71.75 -46.98 56.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 42.7 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.698 -177.117 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.585 ' OD1' ' HB2' ' A' ' 34' ' ' ARG . 14.6 t70 . . . . . 0 C--O 1.233 0.19 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.0 tpp -66.79 -19.83 65.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.775 -173.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 48.6 mtt180 -60.64 -35.94 77.43 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.658 0.266 . . . . 0.0 111.046 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.25 -53.81 22.04 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.436 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -61.91 -24.03 66.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.096 176.008 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -72.81 -49.86 27.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.254 177.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.56 -40.89 93.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.183 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.5 -46.47 76.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.971 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 36' ' ' GLU . 68.3 t -65.08 -46.76 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 78.8 t -54.66 -42.78 62.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.622 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -80.4 -33.67 36.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.343 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.94 -54.48 29.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.743 -173.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.54 17.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.897 0.379 . . . . 0.0 111.356 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 50.0 tp -55.88 -40.47 73.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.843 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.452 ' CD2' ' HB2' ' A' ' 121' ' ' ALA . 51.7 p90 -77.07 -3.42 39.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.756 -174.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.06 -19.73 29.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.025 0.44 . . . . 0.0 110.306 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.3 m -126.98 -168.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.222 -176.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.99 -56.99 3.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.106 0.479 . . . . 0.0 110.387 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -155.64 144.35 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.713 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.489 ' HB2' HG12 ' A' ' 41' ' ' VAL . 85.1 mtp -127.18 147.43 50.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.415 175.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -149.04 177.55 9.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -176.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -114.54 131.56 66.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.453 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 17.2 m -69.99 107.04 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.533 0.683 . . . . 0.0 111.012 -175.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -98.82 16.35 22.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.582 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -102.85 1.0 33.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -130.53 -148.38 0.36 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.793 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -116.99 136.82 52.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.962 0.411 . . . . 0.0 110.665 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' HA ' ' A' ' 64' ' ' ALA . 3.5 p -155.8 117.15 3.92 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.96 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.92 -60.5 0.16 Allowed 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.689 0.757 . . . . 0.0 111.712 -177.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -121.69 -67.3 0.97 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.392 -162.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -98.54 -19.68 17.48 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.871 0.367 . . . . 0.0 111.058 -173.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.3 p -139.0 140.2 38.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.121 -174.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.524 ' HA ' ' HB3' ' A' ' 59' ' ' CYS . . . -142.91 120.05 11.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.891 172.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.453 ' HB2' ' HB2' ' A' ' 54' ' ' SER . 96.8 m-85 -86.53 126.89 34.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.08 132.14 69.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.205 0.526 . . . . 0.0 110.846 -176.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -87.98 125.67 34.66 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.173 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.495 HG13 ' HB2' ' A' ' 76' ' ' TYR . 4.9 p -131.63 115.18 27.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.361 0.601 . . . . 0.0 110.926 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.64 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 34.9 tt0 -101.58 106.27 17.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.654 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.477 ' HA ' HG13 ' A' ' 48' ' ' VAL . 72.4 p -69.7 176.87 3.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.386 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -74.54 3.75 7.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.086 0.47 . . . . 0.0 111.129 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -89.73 -6.19 56.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.49 ' HD3' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER 72.35 13.19 5.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.656 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.418 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 58.7 t30 -92.64 131.91 37.34 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.418 ' NH1' ' HA ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -97.55 122.41 40.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.295 -173.638 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.495 ' HB2' HG13 ' A' ' 68' ' ' VAL . 85.2 m-85 -107.72 150.24 27.18 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.905 0.383 . . . . 0.0 110.604 176.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.4 m -108.66 115.42 30.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.654 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.6 mt -102.34 131.01 49.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.925 0.393 . . . . 0.0 111.154 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -93.73 99.21 11.65 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.7 tp -89.02 115.96 26.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.182 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.9 p -132.54 -170.43 2.43 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.004 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -78.92 -2.85 41.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.267 0.556 . . . . 0.0 110.47 174.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.24 -6.73 40.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.152 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.14 -156.8 15.42 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.413 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.37 135.21 47.16 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.686 ' HD2' ' HE1' ' A' ' 103' ' ' TYR . 39.6 tttt -140.38 115.91 10.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.094 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.14 118.83 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.323 0.583 . . . . 0.0 110.649 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.577 HG12 ' HE2' ' A' ' 86' ' ' LYS . 17.9 m -113.71 7.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.628 -175.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -174.58 156.13 22.43 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.858 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -124.28 40.37 3.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.91 0.862 . . . . 0.0 110.13 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.533 ' HB1' ' HB3' ' A' ' 94' ' ' GLN . . . -139.96 -175.58 4.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.468 172.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -95.9 110.89 23.01 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.41 54.83 1.46 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.747 0.655 . . . . 0.0 110.61 -176.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.533 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 24.4 tt0 -142.99 103.47 4.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.231 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.518 HG11 ' HB ' ' A' ' 88' ' ' VAL . 77.8 t -99.61 117.95 45.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.824 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.489 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 30.5 t70 -112.33 144.53 41.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.21 -172.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -70.16 -21.01 63.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.189 -177.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -83.7 -8.18 59.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.129 -0.357 . . . . 0.0 111.136 -173.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 96' ' ' ASP . 4.6 mp -95.17 90.7 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.353 0.597 . . . . 0.0 111.662 177.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -112.85 75.86 0.94 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.928 0.871 . . . . 0.0 109.097 171.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.7 p -89.72 160.69 40.83 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 114.543 -1.208 . . . . 0.0 112.469 -171.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.38 124.28 13.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.703 2.268 . . . . 0.0 112.263 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.686 ' HE1' ' HD2' ' A' ' 86' ' ' LYS . 5.2 m-85 -72.23 130.31 40.5 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.848 -178.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.44 144.57 44.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -74.62 -44.44 50.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.122 0.487 . . . . 0.0 111.513 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.1 p -107.04 138.71 42.69 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.336 -174.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.69 -26.06 38.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.144 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -59.8 -58.03 10.31 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.319 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.2 m -74.32 -3.9 33.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.568 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.408 ' O ' ' HB ' ' A' ' 113' ' ' THR . 47.0 tp -95.96 -53.65 3.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.919 0.39 . . . . 0.0 110.786 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.438 HD22 HG12 ' A' ' 48' ' ' VAL . 38.2 tp -69.99 -21.02 63.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.983 -175.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.46 -23.83 50.37 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.498 1.142 . . . . 0.0 108.277 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 1.3 m -79.82 -27.78 40.21 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 113.294 -1.775 . . . . 0.0 110.654 173.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.9 mt -83.79 -53.24 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 -176.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.2 t -122.77 116.78 28.96 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 120.765 0.317 . . . . 0.0 110.577 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.21 -21.49 60.12 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 123.139 2.559 . . . . 0.0 112.395 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.86 -11.01 60.06 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.957 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -57.7 -42.07 82.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.559 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -65.07 -32.34 74.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.162 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.62 -43.88 79.35 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.452 ' HB2' ' CD2' ' A' ' 46' ' ' PHE . . . -64.18 -36.45 84.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.525 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.34 177.699 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 11.5 t0 . . . . . 0 C--O 1.233 0.223 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.43 ' HE1' ' HB2' ' A' ' 33' ' ' MET . 0.0 OUTLIER -75.51 -15.15 60.43 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.505 -175.699 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -60.36 -43.4 96.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.832 0.349 . . . . 0.0 110.227 179.592 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 4.9 mt -77.85 -38.86 45.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.511 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 5.9 mm-40 -57.59 -29.28 64.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 41' ' ' VAL . . . -73.92 -49.99 22.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.249 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 36.4 mt-10 -62.25 -33.95 75.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.972 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.99 73.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.758 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.04 -47.56 93.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 95.5 t -57.61 -49.51 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.603 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.63 -10.29 59.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -172.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -81.46 -44.88 16.82 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.245 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.1 m -112.63 15.11 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.563 -176.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 6.1 tt -58.21 -34.61 70.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.397 -176.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -75.62 -12.23 60.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.736 0.303 . . . . 0.0 111.452 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.438 ' HA ' ' CB ' ' A' ' 121' ' ' ALA . . . -82.49 -15.81 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.056 0.455 . . . . 0.0 110.782 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.572 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 23.4 m -117.64 -168.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.014 177.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -88.87 -51.05 5.84 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.371 0.605 . . . . 0.0 109.52 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -141.68 155.23 45.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.036 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.41 ' HB3' ' HG ' ' A' ' 45' ' ' LEU . 18.3 ttt -163.87 129.41 2.99 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -161.19 161.08 30.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.744 0.306 . . . . 0.0 110.664 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.5 p -68.49 134.92 29.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 172.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.508 ' CB ' HD21 ' A' ' 57' ' ' LEU . 4.4 m -55.19 -55.44 31.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.66 -174.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 70.62 10.12 7.04 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.681 0.753 . . . . 0.0 110.493 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -118.81 17.39 13.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.934 0.873 . . . . 0.0 109.571 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.588 ' HG ' ' CB ' ' A' ' 65' ' ' TYR . 4.4 mm? -118.64 -148.51 0.42 Allowed 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.547 -177.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.458 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -130.73 96.03 3.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.537 0.684 . . . . 0.0 109.882 175.245 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.4 p -88.27 90.51 8.42 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.134 175.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.37 -76.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.2 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.456 ' HA ' ' NH1' ' A' ' 34' ' ' ARG . 17.9 m-20 -155.41 -57.8 0.1 Allowed 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -176.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -105.03 20.51 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.554 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.6 p -143.18 137.85 26.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.342 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.37 132.16 13.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.946 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.588 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 92.5 m-85 -92.64 133.55 35.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.163 0.506 . . . . 0.0 110.915 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 72.9 mt -125.82 136.63 60.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.106 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 92' ' ' PHE . 7.8 m120 -108.82 130.66 55.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.28 0.562 . . . . 0.0 110.801 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.48 138.41 51.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.549 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.572 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 35.2 tt0 -117.1 108.61 15.93 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.364 177.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.0 p -67.47 167.73 12.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HD2' ' HB3' ' A' ' 117' ' ' ALA . 68.7 mttm -70.05 -4.73 22.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.412 0.625 . . . . 0.0 110.455 177.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 42.6 tt0 -91.22 3.06 55.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.405 177.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 72' ' ' GLU . 80.1 mtt180 70.99 -1.55 2.64 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.459 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -84.12 129.61 34.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -105.26 148.51 26.91 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.892 -172.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 72.1 m-85 -130.64 150.47 51.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.33 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 34.6 t -114.19 117.23 30.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.487 HD22 HD22 ' A' ' 110' ' ' LEU . 80.6 mt -116.14 131.23 57.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 0.0 111.644 -172.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.43 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 36.2 tt0 -94.27 111.73 23.49 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.467 175.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -88.18 119.72 28.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.5 p -139.58 178.89 6.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.364 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.93 -36.67 84.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 109.831 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.11 -22.63 65.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.828 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.38 -149.75 20.05 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.872 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.75 122.58 48.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.822 0.344 . . . . 0.0 110.199 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 80.5 tttt -111.68 126.43 55.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.678 -175.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.85 106.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.8 m -101.93 0.57 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.151 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 163.21 -178.07 38.98 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.001 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -131.18 40.77 3.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.509 0.671 . . . . 0.0 110.808 -179.763 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -152.36 170.3 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.403 175.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 24.0 m-85 -68.73 146.57 52.83 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 49.66 24.88 1.3 Allowed 'General case' 0 N--CA 1.474 0.767 0 O-C-N 124.05 0.844 . . . . 0.0 112.649 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -103.65 112.12 24.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.055 0.455 . . . . 0.0 110.686 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.3 t -127.3 102.43 9.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.437 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.68 ' OD2' ' HB2' ' A' ' 98' ' ' HIS . 38.7 t70 -123.79 122.06 37.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -177.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.75 16.8 8.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.493 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.68 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 63.2 m80 -78.89 -28.24 44.05 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 169.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.5 mp -69.76 118.38 12.55 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.232 169.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -90.88 29.06 1.41 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.342 0.592 . . . . 0.0 109.903 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.47 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.6 OUTLIER -71.36 117.5 57.52 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.791 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 7.2 Cg_exo -72.79 160.32 46.46 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.786 2.324 . . . . 0.0 112.029 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.49 144.89 31.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.259 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -99.43 157.99 16.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.78 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.21 -67.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 123.647 0.592 . . . . 0.0 111.59 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.2 p -112.73 167.47 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -70.92 -23.87 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.097 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.44 ' HD1' ' HH ' ' A' ' 118' ' ' TYR . 69.7 m-85 -69.62 -51.94 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.148 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.5 m -69.41 -9.1 52.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.151 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.487 HD22 HD22 ' A' ' 78' ' ' LEU . 62.2 tp -95.71 -57.32 2.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.201 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 118' ' ' TYR . 17.0 tp -62.5 -22.64 66.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 0.0 110.075 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -54.45 -41.26 69.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.244 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 110' ' ' LEU . 12.1 t -94.91 -5.06 45.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.846 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 86.8 mt -90.78 -36.79 14.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.336 . . . . 0.0 111.472 -176.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.7 t -148.7 128.37 6.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.905 0.383 . . . . 0.0 111.043 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.34 -18.57 44.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 111.495 175.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.52 ' HB3' ' HD2' ' A' ' 71' ' ' LYS . . . -71.81 -21.84 61.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.821 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.44 ' HH ' ' HD1' ' A' ' 108' ' ' TYR . 48.0 t80 -61.7 -38.82 89.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.394 0.616 . . . . 0.0 109.805 175.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -68.45 -24.52 64.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.424 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -76.55 -55.81 5.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.135 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 47' ' ' ALA . . . -62.04 -35.74 79.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.429 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.401 . . . . 0.0 110.377 178.354 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 4.5 m-20 . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.488 ' HE2' ' HB2' ' A' ' 33' ' ' MET . 6.5 ttm -71.26 -20.08 62.27 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.887 -177.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -58.41 -35.1 71.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.687 169.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER -78.37 -46.52 19.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.612 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.471 ' O ' HG22 ' A' ' 40' ' ' VAL . 42.9 mt-10 -57.84 -30.28 65.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.956 177.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -72.84 -48.98 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.487 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.67 -39.7 77.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.93 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.84 77.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.103 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 36' ' ' GLU . 78.0 t -62.97 -39.35 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.218 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.566 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 53.9 t -56.06 -33.49 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.341 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -88.35 -24.18 23.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.422 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -80.92 -55.93 4.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.566 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 40' ' ' VAL . 34.9 m -88.97 4.99 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.709 0.29 . . . . 0.0 111.682 -173.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 61.7 tp -61.21 -26.66 67.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.066 0.46 . . . . 0.0 110.74 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -72.25 -14.22 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.716 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.31 -10.33 21.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.81 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.559 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 35.4 m -123.14 -170.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.671 0.272 . . . . 0.0 111.212 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -90.68 -56.53 3.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.159 0.504 . . . . 0.0 109.708 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -137.68 158.95 43.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.465 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.443 ' HE3' HG23 ' A' ' 66' ' ' ILE . 19.9 ttt -168.03 134.91 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -160.76 154.98 23.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.2 142.19 16.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.5 ' HB3' HD21 ' A' ' 57' ' ' LEU . 11.0 m -70.14 164.33 24.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 111.319 -175.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HZ1' ' HB2' ' A' ' 55' ' ' LYS . 3.4 ttmp? -122.15 -24.72 5.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.174 -171.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 50.8 m -111.1 25.24 11.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.716 0.77 . . . . 0.0 110.292 -172.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.648 ' HG ' ' CB ' ' A' ' 65' ' ' TYR . 3.9 mm? -113.78 -147.19 0.41 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.718 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.466 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 28.1 ptt-85 -133.18 131.95 41.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.218 174.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 78.4 m -130.04 46.28 2.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.746 0.784 . . . . 0.0 109.748 -176.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.78 82.32 7.88 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.833 -173.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 66.7 -72.99 0.08 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.082 0.864 . . . . 0.0 112.553 171.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.98 -19.54 54.3 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.385 0.674 . . . . 0.0 111.809 -173.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 13.3 p -129.81 144.67 37.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.668 -176.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.43 119.98 4.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.938 0.399 . . . . 0.0 110.733 171.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.648 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 74.5 m-85 -86.74 138.92 31.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.418 177.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.443 HG23 ' HE3' ' A' ' 51' ' ' MET . 58.9 mt -123.87 135.84 62.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.584 -178.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.626 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 95.8 m-20 -97.33 108.02 20.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 p -113.77 138.52 43.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.091 0.472 . . . . 0.0 110.608 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.507 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.1 tt0 -120.9 101.02 7.42 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.723 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 77.1 p -65.27 164.0 14.26 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.571 -176.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.559 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 89.8 mttt -66.18 -23.44 66.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.941 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -74.82 4.17 6.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.892 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 67.18 21.55 9.99 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.463 0.649 . . . . 0.0 111.328 172.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.51 128.09 49.28 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 169.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.41 ' HG2' ' HG3' ' A' ' 69' ' ' GLU . 29.2 mtm180 -96.24 146.1 25.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 97.6 m-85 -139.04 142.9 38.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.047 0.451 . . . . 0.0 110.664 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 23.5 t -105.56 109.09 20.93 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 172.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.5 mt -98.59 135.86 39.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.196 -173.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -94.13 100.36 12.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.4 tp -78.62 117.22 19.57 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.779 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.472 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 13.0 p -136.69 167.63 21.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.297 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -66.5 -20.33 66.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.958 0.409 . . . . 0.0 110.619 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.45 1.82 47.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.613 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.73 -171.25 15.07 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.764 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 85' ' ' LEU . 5.3 mp -107.42 123.45 48.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.571 ' HG2' ' HB3' ' A' ' 103' ' ' TYR . 22.4 mttp -113.59 149.36 34.63 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.64 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.2 t -88.87 104.07 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.796 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.74 -5.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.019 0.438 . . . . 0.0 110.905 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.12 165.04 35.75 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.636 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 4.6 p90 -128.16 27.65 5.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.669 0.747 . . . . 0.0 109.788 177.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.96 162.74 39.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.797 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.626 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 22.3 m-85 -68.42 119.2 12.53 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.247 -0.181 . . . . 0.0 110.672 -177.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.538 ' HB3' ' HB2' ' A' ' 56' ' ' SER . 36.5 m-20 67.28 24.98 8.93 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.478 0.486 . . . . 0.0 111.867 174.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -122.46 107.08 11.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.57 0.224 . . . . 0.0 111.403 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.6 t -82.51 125.05 39.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 170.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.76 136.83 38.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.114 0.483 . . . . 0.0 111.391 -173.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -82.27 -13.44 57.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.761 -176.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -88.46 -22.39 23.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.044 0.449 . . . . 0.0 109.894 -176.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.413 HD12 ' HD2' ' A' ' 90' ' ' TYR . 35.6 mt -71.21 117.82 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.994 0.902 . . . . 0.0 112.095 -176.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -116.76 25.92 10.21 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.0 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.88 152.31 91.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 114.099 -1.409 . . . . 0.0 112.303 -175.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.55 -162.77 0.19 Allowed 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.879 2.386 . . . . 0.0 112.347 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.571 ' HB3' ' HG2' ' A' ' 86' ' ' LYS . 6.3 p90 -142.86 166.65 24.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.853 -177.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.21 161.64 20.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.343 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -82.99 -39.26 21.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.283 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.434 HG23 ' HG2' ' A' ' 105' ' ' GLU . 70.8 p -123.52 159.16 29.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.963 0.411 . . . . 0.0 110.843 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.09 -29.85 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -70.12 -47.75 60.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.2 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.6 t -67.59 -27.0 66.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.073 0.463 . . . . 0.0 110.176 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.9 tp -75.97 -52.34 10.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.476 ' HA ' HD11 ' A' ' 114' ' ' LEU . 14.9 tp -60.64 -29.27 69.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.141 0.496 . . . . 0.0 110.72 -176.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.61 -37.82 88.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.786 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.5 p -77.82 -9.97 59.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.003 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.538 ' HB3' HG21 ' A' ' 70' ' ' THR . 36.4 mt -102.4 -29.94 11.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.186 -174.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.723 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 73.7 m -151.36 118.01 3.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.815 177.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.39 -18.06 59.26 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.809 2.339 . . . . 0.0 111.75 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.35 -13.6 62.4 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.688 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -56.2 -39.67 72.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.144 172.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 36.4 mtp85 -65.03 -37.75 88.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.886 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -77.18 -36.26 55.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.772 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -58.1 -61.33 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.979 0.418 . . . . 0.0 111.233 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.84 179.403 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t0 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.86 0.362 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 31.0 tpp -77.67 -31.38 52.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.545 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 55.3 ttt-85 -70.52 -33.22 70.94 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.7 tp -55.8 -57.48 11.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.745 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.402 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.3 mm-40 -58.57 -35.39 72.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.938 177.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.49 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -63.47 -53.62 49.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.213 -177.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.78 -37.13 73.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.492 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.3 -50.06 69.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.76 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 44' ' ' VAL . 57.7 t -60.08 -45.23 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.586 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.554 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 88.7 t -58.97 -33.4 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 111.266 -178.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -85.28 -24.23 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.019 0.438 . . . . 0.0 110.705 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -79.47 -57.98 3.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.503 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 40' ' ' VAL . 34.8 m -85.68 4.05 3.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.587 -173.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.4 tp -56.75 -37.82 71.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.037 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -69.37 -24.59 63.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.84 -9.26 49.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.051 0.453 . . . . 0.0 111.345 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.6 m -117.32 -167.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.862 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -100.58 -49.1 4.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 69' ' ' GLU . 0.7 OUTLIER -139.11 161.01 38.44 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 177.545 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.554 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 12.0 ttt -170.12 129.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.596 ' HE2' ' HE3' ' A' ' 55' ' ' LYS . 59.3 t80 -159.43 143.91 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.55 HG12 HG12 ' A' ' 66' ' ' ILE . 27.7 m -69.45 157.99 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.071 0.462 . . . . 0.0 111.304 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.485 ' CB ' HD12 ' A' ' 57' ' ' LEU . 6.8 m -79.5 164.06 24.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.373 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.596 ' HE3' ' HE2' ' A' ' 52' ' ' PHE . 98.9 mttt -128.49 -17.74 4.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.44 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -95.07 -5.58 44.0 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.485 HD12 ' CB ' ' A' ' 54' ' ' SER . 64.3 mt -106.02 -144.24 0.38 Allowed 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 113.883 -1.508 . . . . 0.0 109.31 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.7 ptt-85 -153.16 158.53 41.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.326 0.584 . . . . 0.0 111.304 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 1.4 p -154.43 85.43 1.13 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.148 178.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -143.11 102.34 3.98 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.621 -176.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 76.93 -66.66 0.24 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.615 168.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.01 -28.02 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -171.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 11.4 p -136.3 149.49 27.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.83 0.348 . . . . 0.0 111.14 -172.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.582 ' HB2' ' HB3' ' A' ' 80' ' ' LEU . . . -140.96 109.2 5.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.224 173.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.484 ' HB3' HD11 ' A' ' 57' ' ' LEU . 57.6 m-85 -86.68 119.53 27.01 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.496 177.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.55 HG12 HG12 ' A' ' 53' ' ' VAL . 46.5 mt -128.06 141.12 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -175.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 77.8 m-20 -100.44 119.09 37.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.422 HG21 ' HG3' ' A' ' 51' ' ' MET . 9.8 p -117.96 134.76 60.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.361 0.601 . . . . 0.0 111.625 -178.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 43.3 tt0 -116.49 98.63 6.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.306 176.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.532 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 42.6 p -63.63 174.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.551 -177.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.4 -8.52 54.31 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.324 0.583 . . . . 0.0 110.182 176.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.408 ' HG3' HD21 ' A' ' 74' ' ' ASN . 7.6 tp10 -81.24 -8.55 59.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.145 172.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 64.79 11.53 6.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.405 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.408 HD21 ' HG3' ' A' ' 72' ' ' GLU . 12.1 m-80 -87.14 123.58 32.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.512 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 83.6 mtm180 -98.94 128.86 45.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.726 -170.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -127.67 145.38 50.91 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.536 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.1 p -103.53 127.48 50.93 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.0 mt -111.79 136.13 51.46 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.398 -173.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -95.25 95.92 8.83 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.772 -1.103 . . . . 0.0 108.832 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 65.9 tp -79.35 116.41 19.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.165 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 p -126.22 171.6 10.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.573 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -9.73 58.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.735 0.302 . . . . 0.0 111.384 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.38 -21.98 25.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.886 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.94 -173.25 27.19 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.878 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.08 127.47 47.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.149 0.5 . . . . 0.0 110.805 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -126.19 138.61 53.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.209 -177.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.02 139.71 17.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.473 ' HB ' ' HA ' ' A' ' 95' ' ' VAL . 10.5 m -120.5 -16.17 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.62 -178.16 41.8 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.359 -0.924 . . . . 0.0 112.193 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -122.34 35.33 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.159 0.504 . . . . 0.0 110.167 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -153.36 -166.1 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.716 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.512 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 15.6 m-30 -91.86 129.54 37.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.769 178.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.48 ' OD2' ' HB3' ' A' ' 54' ' ' SER . 2.6 m-20 57.6 49.89 11.84 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.871 0.732 . . . . 0.0 111.69 174.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -126.8 130.46 50.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.491 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.473 ' HA ' ' HB ' ' A' ' 88' ' ' VAL . 88.7 t -131.27 110.32 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.902 0.382 . . . . 0.0 110.833 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -98.96 131.8 44.75 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.372 174.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -80.82 -9.43 59.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.813 0.339 . . . . 0.0 111.423 -173.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -86.39 -22.12 26.78 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.1 mt -74.04 115.05 13.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.413 0.625 . . . . 0.0 110.722 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -126.43 40.16 3.78 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.748 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.2 p -54.46 135.41 62.18 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.15 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.32 123.73 14.49 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.851 2.367 . . . . 0.0 111.918 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -52.96 123.88 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.395 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -79.18 150.39 31.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -54.3 -62.25 1.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.926 0.766 . . . . 0.0 111.083 -172.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.5 p -130.36 178.6 6.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.815 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -66.65 -26.58 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.1 0.476 . . . . 0.0 109.862 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -72.31 -49.72 32.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.555 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.1 p -75.74 -1.85 26.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.086 0.47 . . . . 0.0 111.104 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 43.9 tp -95.9 -44.04 7.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.242 0.544 . . . . 0.0 110.05 171.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 tp -74.2 -16.73 60.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.772 -176.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.79 -20.6 53.0 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -177.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 m -87.59 -20.17 26.78 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 112.918 -1.946 . . . . 0.0 110.77 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.408 ' HB3' HG22 ' A' ' 70' ' ' THR . 91.3 mt -102.58 -40.26 6.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.185 -174.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.532 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 60.1 m -139.49 106.88 7.12 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.848 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.67 -13.34 38.49 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.743 2.296 . . . . 0.0 111.301 175.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.72 -14.4 62.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.368 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.92 -44.99 82.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.514 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -76.01 -34.01 59.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.095 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -62.91 -48.63 78.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.793 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.11 86.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.993 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 78.1 t80 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.419 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 29.2 m-20 . . . . . 0 N--CA 1.464 0.237 0 CA-C-O 120.525 0.202 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.539 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 26.2 tpp -66.09 -19.03 65.72 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 120.927 0.394 . . . . 0.0 110.668 -178.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.56 -38.93 86.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.016 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 32' ' ' ASP . 1.4 mt -78.21 -45.62 22.55 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.902 -177.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.41 -33.13 67.56 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.635 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.49 -49.84 65.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.201 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.31 -41.58 93.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.572 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.41 96.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.97 -47.48 90.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.049 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.32 -43.59 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.661 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -86.48 1.69 50.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.726 -176.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -93.49 -45.66 7.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -108.92 19.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.539 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.18 -30.62 64.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.928 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -82.71 -3.1 55.96 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.92 -0.22 51.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.284 0.564 . . . . 0.0 110.419 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.525 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 34.0 m -139.36 179.6 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.678 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -75.74 -63.2 1.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -138.26 151.92 48.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.17 177.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.445 ' HE2' ' HB ' ' A' ' 68' ' ' VAL . 15.4 ttt -154.17 135.44 14.06 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -160.66 160.8 31.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.617 0.246 . . . . 0.0 110.418 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.73 134.63 29.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 174.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.589 ' CB ' HD13 ' A' ' 57' ' ' LEU . 17.2 m -58.82 126.78 29.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.079 0.466 . . . . 0.0 112.227 -171.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -94.05 -3.46 51.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.412 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 m -109.05 3.85 22.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 109.257 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.589 HD13 ' CB ' ' A' ' 54' ' ' SER . 37.1 mt -126.03 -149.97 0.43 Allowed 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.988 -174.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.447 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 43.6 ptt85 -150.86 172.35 15.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.269 0.557 . . . . 0.0 111.734 -173.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.0 p -141.93 131.27 23.61 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.296 174.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.461 ' C ' ' H ' ' A' ' 62' ' ' ASP . . . -118.2 14.81 14.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.6 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.539 ' O ' ' HB2' ' A' ' 33' ' ' MET . 66.7 m-20 70.98 -28.51 0.18 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.588 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 60' ' ' ALA . 10.8 t70 -79.46 -24.69 42.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.904 0.859 . . . . 0.0 108.768 166.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' A' ' 60' ' ' ALA . 14.7 p -143.37 146.25 21.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.099 -176.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.64 118.44 11.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.413 175.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.502 ' HB3' HD12 ' A' ' 57' ' ' LEU . 71.2 m-85 -87.57 124.43 33.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.773 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.0 mt -123.48 138.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.803 -175.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -107.43 124.51 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.03 176.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.445 ' HB ' ' HE2' ' A' ' 51' ' ' MET . 7.7 p -126.86 138.64 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.118 0.485 . . . . 0.0 111.007 -178.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HB2' ' HZ ' ' A' ' 92' ' ' PHE . 41.2 tt0 -128.37 108.72 10.8 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.525 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 71.9 p -70.36 172.47 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.771 -174.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.508 ' HD3' ' HB2' ' A' ' 117' ' ' ALA . 43.5 mtpt -60.85 -28.99 69.24 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.107 0.479 . . . . 0.0 110.675 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' OE1' ' HD2' ' A' ' 116' ' ' PRO . 36.4 mt-10 -82.59 6.78 16.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.617 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 68.78 16.67 8.9 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.898 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -85.14 115.47 22.96 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -96.36 138.47 33.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.138 -172.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -131.53 150.82 52.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.843 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.2 t -114.94 121.44 43.19 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 173.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -111.05 131.05 55.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.417 0.627 . . . . 0.0 112.023 -171.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.48 ' HG2' HG22 ' A' ' 81' ' ' THR . 45.6 tt0 -101.6 97.56 7.97 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.916 173.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.463 HD11 ' HG ' ' A' ' 85' ' ' LEU . 52.0 tp -78.7 115.97 18.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.903 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.48 HG22 ' HG2' ' A' ' 79' ' ' GLU . 23.4 p -129.94 -171.4 2.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.901 -176.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -65.62 -19.69 66.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 110.726 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.04 5.28 52.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.18 -147.13 16.74 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.99 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.463 ' HG ' HD11 ' A' ' 80' ' ' LEU . 6.3 mp -96.97 124.67 41.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 110.226 -178.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.617 ' HD2' ' HE1' ' A' ' 103' ' ' TYR . 62.3 tttt -121.05 142.07 50.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.94 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.529 ' HB ' HG23 ' A' ' 101' ' ' THR . 95.4 t -89.07 116.56 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.478 ' HB ' HG12 ' A' ' 95' ' ' VAL . 9.4 m -107.51 -1.53 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.891 0.377 . . . . 0.0 111.367 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -177.88 163.97 32.6 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.07 -1.062 . . . . 0.0 112.595 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -120.22 33.85 5.44 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.868 0.842 . . . . 0.0 109.561 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -158.33 159.96 36.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.288 176.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.523 ' HZ ' ' HB2' ' A' ' 69' ' ' GLU . 78.5 m-85 -72.73 130.54 40.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 t0 70.01 21.05 6.31 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.771 0.796 . . . . 0.0 110.289 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.428 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 34.0 tt0 -111.28 105.73 14.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.428 177.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' A' ' 88' ' ' VAL . 75.4 t -132.8 118.19 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.094 0.473 . . . . 0.0 111.913 -175.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.77 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 9.2 t70 -107.29 120.88 43.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 169.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -68.51 -31.02 69.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.195 -171.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -101.05 9.83 41.7 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -170.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.77 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 21.2 mt -65.08 116.93 6.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.022 0.439 . . . . 0.0 110.895 177.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -87.86 89.4 7.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.95 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.529 HG23 ' HB ' ' A' ' 87' ' ' VAL . 20.0 p -108.31 159.35 31.02 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.502 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -66.42 102.6 0.6 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.089 1.86 . . . . 0.0 112.809 -176.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.617 ' HE1' ' HD2' ' A' ' 86' ' ' LYS . 19.8 m-85 -63.54 122.26 15.87 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.965 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.454 ' HD1' ' HA ' ' A' ' 110' ' ' LEU . 37.6 m80 -123.19 132.2 53.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -10.16 59.26 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.196 -172.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.7 p -127.28 142.86 51.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.157 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.61 -28.01 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.825 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -64.52 -49.13 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.128 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.6 t -61.65 -34.55 75.9 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.691 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.454 ' HA ' ' HD1' ' A' ' 104' ' ' HIS . 32.2 tp -76.02 -55.2 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.568 -177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.8 tp -62.69 -28.23 69.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.885 0.374 . . . . 0.0 110.517 -174.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.24 -38.66 85.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.777 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.6 p -76.61 -5.64 48.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.538 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 48.0 mt -115.47 -49.1 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.523 ' OG ' HG23 ' A' ' 70' ' ' THR . 35.9 m -128.98 124.8 22.61 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -173.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.494 ' HD2' ' OE1' ' A' ' 72' ' ' GLU . 42.9 Cg_endo -68.77 -16.2 41.51 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.827 2.351 . . . . 0.0 111.852 176.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.508 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -64.77 -24.37 67.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.309 0.576 . . . . 0.0 110.023 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -60.51 -50.94 71.57 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.044 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.47 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.05 -48.48 81.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.626 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.0 -43.29 19.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.454 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.4 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.549 -178.03 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.513 ' OD1' ' HB2' ' A' ' 34' ' ' ARG . 8.6 t70 . . . . . 0 C--O 1.235 0.318 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.493 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 27.0 tpp -66.41 -19.44 65.8 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -177.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.513 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 77.2 mtm180 -70.3 -32.91 70.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.413 -175.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 32' ' ' ASP . 5.9 mt -65.58 -52.52 51.63 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.372 0.606 . . . . 0.0 109.494 177.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.93 -31.99 69.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.545 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -67.97 -52.71 32.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.521 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.94 -37.14 86.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.888 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.36 97.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.062 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.488 HG11 HG11 ' A' ' 107' ' ' VAL . 37.0 t -65.54 -49.12 79.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.903 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.583 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 69.7 t -53.71 -53.89 23.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.669 -176.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.88 -34.19 77.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.672 -175.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.01 -50.14 37.38 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -171.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.8 m -96.36 4.89 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 7.6 tt -62.0 -28.91 69.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.961 0.41 . . . . 0.0 110.612 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -66.96 -19.63 65.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.473 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.83 7.52 37.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 111.509 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.604 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 31.8 m -130.58 -178.14 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -89.25 -37.83 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.105 0.479 . . . . 0.0 110.238 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -159.72 151.96 20.88 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.7 ttt -165.68 130.5 2.39 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -158.88 161.61 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.588 0.232 . . . . 0.0 110.617 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.21 140.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.425 ' CB ' HD23 ' A' ' 57' ' ' LEU . 8.6 m -72.66 160.63 31.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.898 -175.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -127.54 -4.22 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -172.377 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.53 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 4.5 m -110.51 12.53 22.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.534 0.683 . . . . 0.0 110.284 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.626 ' HG ' ' CB ' ' A' ' 65' ' ' TYR . 3.7 mm? -109.28 -150.74 0.46 Allowed 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.031 -176.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -140.83 130.01 23.52 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.789 175.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.7 m -122.72 88.72 2.98 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.48 176.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -96.86 19.71 12.2 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.71 -175.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 33' ' ' MET . 80.4 m-20 78.6 -24.96 0.2 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.521 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.05 -33.46 73.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 168.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 p -143.76 154.47 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.355 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.07 117.35 4.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.003 172.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.626 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 86.5 m-85 -86.89 128.7 35.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.061 0.457 . . . . 0.0 110.917 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.5 mt -118.09 132.65 67.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.612 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.569 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 84.6 m-20 -95.57 112.28 24.03 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 11.2 p -113.33 142.23 26.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.0 0.429 . . . . 0.0 110.708 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.5 tt0 -135.28 105.66 6.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.604 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 81.5 p -72.91 -177.18 2.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.58 -175.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -68.84 -21.65 64.27 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.956 0.407 . . . . 0.0 110.461 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -72.5 -5.97 40.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.08 174.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 66.23 20.06 11.08 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.216 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -92.76 119.26 31.95 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.584 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -96.41 141.45 29.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.068 -176.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -137.42 146.97 45.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.811 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.6 t -101.19 117.28 34.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 70.0 mt -106.44 131.84 53.16 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.169 0.509 . . . . 0.0 111.454 -174.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.69 107.89 19.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.483 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.0 tp -89.19 115.34 26.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.997 0.427 . . . . 0.0 110.553 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 p -137.69 -169.13 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.423 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.72 -17.81 64.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.988 0.423 . . . . 0.0 110.771 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.48 -12.67 57.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.738 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.54 -146.01 17.8 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.783 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.38 118.36 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.835 0.35 . . . . 0.0 110.27 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 34.2 ttpt -113.78 138.0 50.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.472 -178.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.8 t -81.0 107.35 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 110.191 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.51 ' HB ' HG13 ' A' ' 95' ' ' VAL . 26.8 m -97.13 -10.34 8.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -173.77 160.61 30.78 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.079 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -109.07 35.56 3.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.492 0.663 . . . . 0.0 110.425 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -150.7 169.66 21.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.933 176.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.569 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 83.3 m-85 -74.16 125.45 28.39 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.497 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 56' ' ' SER . 13.5 m-20 65.63 19.39 11.44 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.65 0.594 . . . . 0.0 111.103 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -100.26 115.36 29.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.684 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.51 HG13 ' HB ' ' A' ' 88' ' ' VAL . 86.6 t -120.18 117.13 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.545 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.462 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 10.0 t70 -98.64 126.71 44.32 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -65.44 -26.9 68.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.992 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -95.43 3.46 54.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.362 -174.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.462 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 21.6 mt -89.72 114.58 26.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.15 0.5 . . . . 0.0 110.908 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -124.79 77.13 1.57 Allowed 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -85.83 157.11 57.95 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.926 -176.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -68.73 107.83 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.432 2.088 . . . . 0.0 111.625 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.55 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 1.0 OUTLIER -78.22 153.53 31.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.841 -179.061 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -120.65 143.34 48.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.32 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -29.47 70.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -172.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.8 p -131.4 158.68 40.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.643 0.259 . . . . 0.0 110.76 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.488 HG11 HG11 ' A' ' 40' ' ' VAL . 10.3 p -65.24 -29.54 47.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.296 177.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -60.74 -53.69 54.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.26 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.5 m -60.17 -32.26 70.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.399 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.78 -54.39 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.149 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.67 -19.86 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.005 0.431 . . . . 0.0 111.259 -177.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.29 -18.15 53.25 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.966 1.365 . . . . 0.0 108.138 -177.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 55.3 m -93.94 -14.96 25.4 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 112.704 -2.044 . . . . 0.0 110.665 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.9 mt -114.83 -44.2 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -174.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.45 ' HB2' ' HB2' ' A' ' 118' ' ' TYR . 63.8 m -108.59 117.19 54.86 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.134 0.492 . . . . 0.0 112.318 -172.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.52 -33.01 18.42 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.434 2.089 . . . . 0.0 111.292 172.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.25 -19.4 59.76 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.004 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.45 ' HB2' ' HB2' ' A' ' 115' ' ' SER . 75.1 t80 -59.31 -43.68 92.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.752 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -67.55 -35.37 78.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.508 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -72.31 -49.84 31.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.635 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.42 -31.96 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.96 -175.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.5 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 0.0 110.642 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.682 ' HA ' ' HA ' ' A' ' 61' ' ' ASP . 8.1 t70 . . . . . 0 C--O 1.233 0.221 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.611 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 22.2 tpp -64.26 -6.43 6.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.284 -171.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.637 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 3.5 ttm180 -53.95 -42.09 68.51 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.026 0.53 . . . . 0.0 110.974 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 3.1 mt -63.48 -50.58 69.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.144 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.45 -30.15 70.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.815 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -68.3 -53.75 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.093 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.27 -29.14 68.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.039 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.69 -56.45 17.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.288 174.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.498 ' O ' HG21 ' A' ' 44' ' ' VAL . 78.7 t -55.27 -40.77 57.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.309 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.586 HG22 HG11 ' A' ' 53' ' ' VAL . 97.7 t -55.8 -36.65 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.539 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.49 -43.59 14.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.75 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.38 -44.72 80.48 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.241 -175.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 40' ' ' VAL . 33.5 m -106.85 16.36 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.851 -177.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 62.2 tp -59.1 -46.46 88.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 111.489 -177.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.525 ' HD1' ' HB2' ' A' ' 121' ' ' ALA . 45.3 p90 -75.69 -8.41 56.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.78 -175.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.7 -16.64 35.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.074 0.464 . . . . 0.0 110.708 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 26.9 m -122.67 -169.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.657 -178.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.519 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 54.8 t30 -94.01 -42.71 8.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.317 0.58 . . . . 0.0 109.733 178.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -149.01 143.23 25.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.906 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.501 ' HB3' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -136.58 118.0 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.177 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.425 ' HD2' ' O ' ' A' ' 54' ' ' SER . 33.4 t80 -141.7 129.38 21.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.691 0.281 . . . . 0.0 110.807 -173.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.586 HG11 HG22 ' A' ' 41' ' ' VAL . 3.4 m -76.74 115.22 18.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.02 0.438 . . . . 0.0 110.921 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.633 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 1.2 m 52.82 -149.75 0.38 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.154 -177.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 54' ' ' SER . 2.6 ttpm? 166.55 -40.21 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.1 m -139.17 6.96 2.39 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 113.783 -1.553 . . . . 0.0 109.277 175.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.633 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 25.4 mt -98.0 -144.81 0.31 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.454 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -165.86 167.38 16.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.83 0.348 . . . . 0.0 110.769 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.9 p -132.44 95.45 3.63 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.63 85.05 2.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.256 -174.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.682 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 24.7 t70 59.71 -82.28 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.154 0.908 . . . . 0.0 112.537 173.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.52 -30.72 63.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.329 -174.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.92 136.96 52.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.007 0.432 . . . . 0.0 111.456 -175.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' A' ' 33' ' ' MET . . . -129.3 109.07 10.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.071 173.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.503 ' HB3' HD12 ' A' ' 57' ' ' LEU . 57.7 m-85 -86.27 119.06 26.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.92 0.39 . . . . 0.0 110.73 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.8 mt -120.88 140.82 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.798 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.536 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 91.2 m-20 -111.23 112.67 24.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.542 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.48 HG23 ' HG2' ' A' ' 51' ' ' MET . 10.7 p -118.33 142.5 32.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.253 0.549 . . . . 0.0 110.988 -176.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.56 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 33.9 tt0 -122.7 112.49 18.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.343 175.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.449 ' HA ' HG12 ' A' ' 48' ' ' VAL . 71.5 p -62.53 169.94 2.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.739 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HA ' ' HB2' ' A' ' 49' ' ' ASN . 16.3 ptpt -76.08 -0.36 21.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.68 178.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 16.0 tt0 -85.9 -4.97 59.29 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 169.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 60.34 44.63 12.11 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.283 -174.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -109.28 132.7 53.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.548 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 3.7 mpt_? -96.97 129.69 44.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.049 0.452 . . . . 0.0 111.313 -170.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -133.13 129.41 37.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.226 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 12.2 t -97.2 116.62 29.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.8 mt -110.58 128.72 55.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.314 0.578 . . . . 0.0 111.571 -173.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -97.14 101.59 13.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.188 175.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 57.5 tp -83.21 117.84 23.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.15 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.1 p -138.05 -170.66 2.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.067 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.79 -14.4 62.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.965 0.412 . . . . 0.0 110.517 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.57 2.1 55.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.395 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.44 -143.81 15.82 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.075 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.41 ' HB2' HD22 ' A' ' 110' ' ' LEU . 5.7 mp -105.21 110.89 23.43 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -178.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HE3' HG12 ' A' ' 88' ' ' VAL . 4.6 tmtm? -113.57 124.78 53.16 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.344 -176.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.24 128.26 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.694 -177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.467 HG12 ' HE3' ' A' ' 86' ' ' LYS . 13.2 m -114.31 -9.55 12.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.878 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.46 163.02 31.96 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.427 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -107.71 30.81 5.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.23 0.538 . . . . 0.0 110.205 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -153.52 163.47 39.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.679 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.536 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 17.2 m-85 -65.39 122.45 17.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.875 0.369 . . . . 0.0 110.987 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.564 ' OD1' ' HG ' ' A' ' 57' ' ' LEU . 14.2 m-20 66.77 24.16 9.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.451 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.727 HE21 ' HA ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -98.69 108.54 21.26 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.57 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.429 HG21 HG22 ' A' ' 88' ' ' VAL . 86.2 t -122.11 115.09 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.83 0.348 . . . . 0.0 111.602 -176.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 98' ' ' HIS . 31.5 t70 -126.49 111.96 15.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.515 171.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.85 -9.7 58.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.143 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.47 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 61.9 m80 -73.56 -19.18 60.96 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.95 114.95 6.93 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.411 169.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.436 HE21 ' HB3' ' A' ' 100' ' ' GLN . 2.2 pt20 -112.43 48.93 0.95 Allowed 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.522 0.677 . . . . 0.0 110.215 -175.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.6 p -67.39 138.24 94.01 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.439 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.99 129.17 32.93 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.642 2.228 . . . . 0.0 112.62 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -64.74 131.43 46.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.253 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -108.05 134.88 50.31 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -78.15 -45.04 24.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.426 -171.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.4 p -110.1 139.8 44.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.39 . . . . 0.0 111.491 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.28 -24.2 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.596 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -56.2 -60.76 3.04 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.461 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -70.2 -34.29 72.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.908 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 113' ' ' THR . 38.4 tp -65.22 -57.52 8.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.821 0.343 . . . . 0.0 111.403 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.471 HD21 HG11 ' A' ' 48' ' ' VAL . 27.5 tp -66.08 -31.92 73.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.167 -174.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.17 -37.75 88.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.294 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 110' ' ' LEU . 4.9 t -78.86 -17.0 56.34 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.437 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 97.4 mt -83.97 -46.35 12.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 75.7 m -137.74 112.88 9.11 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.166 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.1 -9.7 20.47 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.721 2.281 . . . . 0.0 111.678 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.499 ' HA ' ' HG2' ' A' ' 120' ' ' GLU . . . -71.95 -5.48 35.09 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.577 175.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.442 ' CD1' HD22 ' A' ' 111' ' ' LEU . 91.1 t80 -61.21 -48.58 80.86 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.838 174.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.611 ' HA ' ' HB3' ' A' ' 122' ' ' PHE . 43.7 mtm180 -74.81 -10.25 59.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.849 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 43.2 mm-40 -67.29 -50.01 61.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 171.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.525 ' HB2' ' HD1' ' A' ' 46' ' ' PHE . . . -76.9 -35.48 57.36 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.5 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.611 ' HB3' ' HA ' ' A' ' 119' ' ' ARG . 56.8 t80 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.368 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.545 ' HB2' ' HG ' ' A' ' 35' ' ' LEU . 4.1 m-20 . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.7 tpp -62.92 -16.45 59.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.278 0.561 . . . . 0.0 109.662 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 34' ' ' ARG . 58.4 mtt180 -61.1 -34.15 74.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.634 174.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.545 ' HG ' ' HB2' ' A' ' 32' ' ' ASP . 7.7 mt -78.43 -46.81 18.9 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.18 -176.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.85 -26.02 68.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.264 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -74.89 -47.87 27.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.359 177.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -59.13 -38.55 79.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.481 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.08 92.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.629 178.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.477 HG11 HG13 ' A' ' 107' ' ' VAL . 53.4 t -64.96 -51.02 71.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.225 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.549 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 79.7 t -55.64 -43.54 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.632 -177.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -81.8 -3.83 54.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.08 -52.48 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.071 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.759 ' HA ' ' HZ ' ' A' ' 122' ' ' PHE . 35.0 m -93.94 8.81 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 65.1 tp -57.65 -30.62 65.55 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.036 0.446 . . . . 0.0 111.211 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -72.01 -9.56 58.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.589 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.53 -14.85 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.663 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 29.9 m -127.2 -171.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.499 0.19 . . . . 0.0 111.318 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -82.41 -58.22 3.02 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.208 0.528 . . . . 0.0 110.157 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -143.2 147.11 34.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.469 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.492 ' HE2' ' HB ' ' A' ' 68' ' ' VAL . 14.8 ttt -151.73 135.61 16.44 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -151.77 134.93 15.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.431 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 p -75.93 126.2 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.442 ' CB ' HD21 ' A' ' 57' ' ' LEU . 8.8 m -74.48 123.35 24.56 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.552 0.692 . . . . 0.0 111.846 -171.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -99.29 13.69 32.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.307 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 p -114.17 22.51 13.75 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.416 0.627 . . . . 0.0 110.435 -174.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.583 ' HG ' ' HB2' ' A' ' 65' ' ' TYR . 4.3 mm? -122.77 -155.22 0.64 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.463 -175.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.499 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 7.5 ptp85 -111.32 13.74 21.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.487 -176.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 3.2 m -53.78 131.98 40.54 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.786 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.25 -70.6 0.16 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.599 0.714 . . . . 0.0 111.455 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -110.14 -68.97 0.89 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.277 -165.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 81' ' ' THR . 13.4 t70 -116.78 -2.71 11.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.234 0.54 . . . . 0.0 110.735 -175.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 11.2 p -122.35 131.65 72.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.675 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.44 129.8 18.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.38 175.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.583 ' HB2' ' HG ' ' A' ' 57' ' ' LEU . 37.6 m-85 -93.35 121.61 34.91 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.481 HG23 ' HE3' ' A' ' 51' ' ' MET . 60.0 mt -113.53 131.75 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.081 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.459 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 8.3 m120 -101.21 113.14 25.92 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.301 0.572 . . . . 0.0 110.005 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.492 ' HB ' ' HE2' ' A' ' 51' ' ' MET . 7.2 p -121.75 140.95 44.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.425 -177.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.663 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 30.5 tt0 -115.22 110.34 19.32 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.618 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 68.0 p -66.49 171.9 4.58 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -75.38 1.47 13.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.054 0.454 . . . . 0.0 110.979 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -96.8 6.02 49.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 67.34 22.05 9.62 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.279 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.05 124.01 34.41 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.38 117.24 29.98 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -112.53 132.06 55.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.94 0.4 . . . . 0.0 110.723 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.08 101.95 14.48 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 171.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.7 mt -94.63 134.96 36.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.191 0.519 . . . . 0.0 111.235 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 27.3 tt0 -94.35 104.09 16.08 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.54 177.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.2 tp -91.86 109.52 20.85 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.553 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 79.7 p -130.23 169.16 15.75 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.01 -28.91 68.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.957 0.408 . . . . 0.0 110.412 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.6 -24.19 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.323 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.63 -179.74 22.47 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.086 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.497 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 6.0 mp -109.99 130.69 55.5 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 103' ' ' TYR . 23.4 mtmm -120.58 160.59 22.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 50.3 t -89.59 113.14 25.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 19.3 m -115.55 23.14 5.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.667 0.27 . . . . 0.0 111.232 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 172.15 150.72 7.4 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.051 -1.071 . . . . 0.0 112.762 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -112.02 28.57 8.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.975 0.417 . . . . 0.0 110.785 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.429 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . . . -157.87 169.64 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.394 177.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.459 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 56.4 m-85 -69.19 135.02 50.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.024 178.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p30 46.39 24.6 0.31 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.183 0.993 . . . . 0.0 113.237 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 48.7 tt0 -111.31 116.95 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.167 176.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.623 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 66.1 t -98.97 108.66 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.154 0.502 . . . . 0.0 110.615 176.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -83.03 97.45 8.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -71.7 -13.82 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.42 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -81.23 -10.78 59.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.95 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.77 136.34 48.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.988 0.423 . . . . 0.0 111.132 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -124.86 18.77 8.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.532 -177.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.475 ' O ' ' HD2' ' A' ' 86' ' ' LYS . 4.2 t -55.03 135.45 67.48 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.884 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 9.3 Cg_exo -70.5 158.2 56.68 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.948 2.432 . . . . 0.0 112.948 -177.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.517 ' HA ' ' HG2' ' A' ' 86' ' ' LYS . 17.3 m-85 -63.17 132.76 52.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.943 175.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -101.34 151.44 21.9 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.748 172.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' A' ' 105' ' ' GLU . 1.4 mp0 -54.96 -66.96 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.531 -173.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.2 p -130.3 167.79 17.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.25 -175.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.477 HG13 HG11 ' A' ' 40' ' ' VAL . 14.7 p -72.06 -22.57 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.975 0.417 . . . . 0.0 109.928 176.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -69.54 -49.89 50.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.2 p -75.07 -26.87 59.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.975 0.417 . . . . 0.0 110.569 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.67 -50.72 41.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.746 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.1 -25.48 68.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.176 0.512 . . . . 0.0 109.861 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.68 -41.17 94.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.195 176.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.4 p -76.63 -15.12 59.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.215 -177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.458 ' HB3' HG23 ' A' ' 70' ' ' THR . 46.7 mt -102.17 -19.03 15.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.201 -173.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.618 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 70.8 m -155.61 110.61 2.19 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.294 176.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 29.4 Cg_endo -63.97 -20.85 68.47 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.587 2.191 . . . . 0.0 111.848 178.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.1 -10.87 60.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.083 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -56.68 -33.27 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.888 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -75.88 -26.96 57.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.279 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -91.09 -0.04 57.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.626 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.81 -67.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.646 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.759 ' HZ ' ' HA ' ' A' ' 44' ' ' VAL . 75.5 m-85 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.494 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.499 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 4.3 m-20 . . . . . 0 C--O 1.237 0.42 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 33' ' ' MET . 0.9 OUTLIER -60.95 -35.21 76.15 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -167.105 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.7 ttt180 -73.26 -21.77 60.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.131 -175.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' A' ' 32' ' ' ASP . 22.7 mt -76.83 -45.07 29.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.191 0.52 . . . . 0.0 109.711 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 40' ' ' VAL . 61.4 mm-40 -68.38 -18.79 64.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.191 173.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' HB3' HD13 ' A' ' 66' ' ' ILE . . . -73.65 -45.35 53.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.127 177.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 56.1 mm-40 -55.31 -40.27 70.92 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.035 175.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.92 83.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.08 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 36' ' ' GLU . 90.6 t -59.48 -45.56 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.302 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 97.4 t -58.22 -35.85 55.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 111.318 -178.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -84.12 -27.81 27.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.056 0.455 . . . . 0.0 110.773 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.71 -50.76 12.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.216 -172.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 m -106.26 15.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 51.5 tp -56.47 -38.89 72.31 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -74.44 -3.58 31.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -174.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.55 -13.84 27.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.942 0.401 . . . . 0.0 110.76 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 33.5 m -128.43 -168.92 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -98.46 -37.0 9.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.33 -174.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -167.68 128.56 1.45 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.745 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.491 ' HG2' HG23 ' A' ' 68' ' ' VAL . 82.0 mtp -119.14 141.79 48.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.634 0.254 . . . . 0.0 110.406 177.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -155.84 120.22 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 -176.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.64 141.66 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.433 ' HB3' HD12 ' A' ' 57' ' ' LEU . 19.6 m -62.44 158.08 18.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.434 0.635 . . . . 0.0 112.519 -171.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -132.6 -6.47 3.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.464 -176.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.536 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 50.1 m -110.81 7.34 21.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.953 0.406 . . . . 0.0 111.308 -176.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 54' ' ' SER . 4.9 mp -122.22 -153.12 0.53 Allowed 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -123.0 143.41 49.95 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 120.925 0.393 . . . . 0.0 110.377 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.5 p -128.68 97.89 4.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.805 174.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.84 5.91 48.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.991 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 70.58 0.65 3.35 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.535 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -94.63 -17.35 22.38 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 162.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.1 p -144.69 139.52 23.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 113.94 -1.482 . . . . 0.0 109.195 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.92 118.03 10.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.781 0.324 . . . . 0.0 110.511 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -86.82 123.15 31.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.378 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 37' ' ' ALA . 60.9 mt -118.97 134.36 62.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -96.96 134.54 40.18 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.491 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.5 p -134.3 113.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.711 0.767 . . . . 0.0 111.058 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -95.55 109.65 21.84 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 173.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.588 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 43.1 p -73.48 176.06 6.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.54 -177.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 85.3 mttt -75.5 0.15 18.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 110.54 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -88.88 0.99 56.08 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 171.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 66.79 19.78 10.68 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.376 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -96.42 133.37 40.92 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -96.1 111.07 23.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -108.83 126.1 52.68 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.824 0.345 . . . . 0.0 110.118 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.447 ' O ' HG21 ' A' ' 88' ' ' VAL . 12.9 t -96.34 131.7 42.6 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 80.0 mt -121.71 137.64 54.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.216 0.531 . . . . 0.0 111.376 -174.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HG2' HG22 ' A' ' 81' ' ' THR . 43.9 tt0 -93.76 101.57 13.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.9 tp -81.66 115.69 21.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.735 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.475 HG22 ' HG2' ' A' ' 79' ' ' GLU . 74.3 p -127.32 178.36 6.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.356 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -74.8 -9.97 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.36 0.6 . . . . 0.0 109.455 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.41 -13.37 30.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.892 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.96 -165.9 24.76 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.732 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 mp -109.07 118.77 37.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.687 0.279 . . . . 0.0 110.273 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.588 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 52.3 tttp -113.33 142.1 46.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 -177.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.561 ' HB ' ' HB ' ' A' ' 101' ' ' THR . 44.0 t -74.83 125.77 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.671 ' HB ' ' CB ' ' A' ' 95' ' ' VAL . 21.7 m -105.98 -25.81 3.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.39 169.73 42.6 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.501 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -102.04 21.45 14.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.756 0.312 . . . . 0.0 110.462 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.8 165.14 27.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.041 0.448 . . . . 0.0 110.927 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.17 124.31 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.147 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 56' ' ' SER . 24.0 m-20 64.29 34.49 10.64 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.579 0.549 . . . . 0.0 110.915 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.737 HE21 ' HA ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -122.72 127.04 48.71 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -175.429 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.671 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 2.6 p -136.46 137.88 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.92 170.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -101.91 136.68 41.33 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.78 -32.46 73.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.814 -173.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -107.05 17.96 22.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.871 0.367 . . . . 0.0 111.515 -175.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 mt -79.59 106.07 11.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 0.0 110.218 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -92.43 28.38 1.98 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.523 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.561 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -54.54 134.74 63.23 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.209 176.398 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 35.3 Cg_exo -60.39 166.63 9.14 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 123.223 2.615 . . . . 0.0 113.332 -175.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.588 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -133.85 151.16 51.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.246 178.687 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -117.82 174.52 6.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.027 0.441 . . . . 0.0 111.701 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 105' ' ' GLU . 26.9 mp0 -66.7 -64.08 0.93 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.807 -176.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 64.6 p -123.14 176.26 6.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.069 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 p -68.53 -25.99 32.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.034 0.445 . . . . 0.0 109.874 176.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -66.88 -56.76 8.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.709 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.3 p -71.68 -6.66 42.74 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.934 0.397 . . . . 0.0 111.375 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.7 tp -96.23 -55.42 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.955 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' A' ' 118' ' ' TYR . 15.5 tp -63.05 -25.31 68.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.351 0.596 . . . . 0.0 109.821 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -63.13 -31.22 72.31 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.968 177.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 43.1 p -91.38 -2.52 57.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.898 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 76.3 mt -115.62 -60.24 1.9 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.107 -171.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 67.0 m -99.41 119.04 61.27 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -170.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -60.53 -31.59 92.56 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.815 2.344 . . . . 0.0 111.307 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.437 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -65.06 -31.57 72.85 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.472 ' CD1' HD23 ' A' ' 111' ' ' LEU . 81.5 t80 -61.0 -38.17 85.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.571 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 119' ' ' ARG . 8.5 mmm180 -59.42 -46.96 87.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.469 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -69.91 -42.8 72.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.82 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.16 90.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.232 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 73.0 t80 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.167 178.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 66.7 t0 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.424 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 33.0 tpp -61.68 -22.74 65.58 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.573 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 ttp85 -63.94 -28.2 69.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.28 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.515 ' HG ' ' HB3' ' A' ' 32' ' ' ASP . 12.7 mt -71.4 -48.9 46.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.19 0.519 . . . . 0.0 109.933 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 40' ' ' VAL . 40.1 mt-10 -65.87 -26.76 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.318 174.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' HB1' HD12 ' A' ' 66' ' ' ILE . . . -67.45 -53.01 32.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.674 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -58.55 -35.87 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.412 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.3 -48.62 79.05 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.661 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.492 ' O ' HG21 ' A' ' 44' ' ' VAL . 78.6 t -62.9 -49.76 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.027 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 69.0 t -53.81 -47.88 62.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.423 -178.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -70.83 -35.3 72.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.378 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.58 -50.16 22.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.333 -0.394 . . . . 0.0 112.032 -172.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 40' ' ' VAL . 34.7 m -95.6 11.98 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.664 -174.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 46.9 tp -59.02 -29.38 67.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.515 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -75.55 -10.45 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 111.098 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.37 4.88 41.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.115 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.515 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.1 m -140.39 179.98 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -90.35 -39.77 12.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.013 0.435 . . . . 0.0 110.302 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.414 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 56.2 t30 -153.17 154.28 34.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.573 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 16.1 ttt -162.74 127.37 3.11 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -157.84 136.93 11.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.284 -176.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.481 HG12 HG12 ' A' ' 66' ' ' ILE . 17.8 m -60.47 136.24 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.448 ' CB ' HD12 ' A' ' 57' ' ' LEU . 16.1 m -52.32 -49.05 64.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -170.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.6 tttt 68.26 6.44 5.3 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.818 0.818 . . . . 0.0 109.869 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.4 m -127.6 23.62 6.27 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 14.9 mt -151.58 123.0 7.83 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 113.438 -1.71 . . . . 0.0 108.906 -171.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HD3' ' H ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -63.42 112.54 2.79 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.495 -170.541 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.1 p -104.14 95.03 5.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.466 170.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.51 -76.34 0.17 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.924 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -140.37 -64.09 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.596 -176.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.31 19.5 19.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.967 0.413 . . . . 0.0 111.238 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.9 p -141.27 129.21 22.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.096 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.28 125.24 14.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.578 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.504 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 97.3 m-85 -95.15 126.1 40.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.713 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.481 HG12 HG12 ' A' ' 53' ' ' VAL . 50.7 mt -124.96 144.3 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.72 -176.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -106.24 124.46 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.455 HG22 ' HG3' ' A' ' 51' ' ' MET . 11.3 p -121.49 147.21 25.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 -176.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.515 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 43.7 tt0 -134.44 104.51 6.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.454 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 72.6 p -65.77 175.18 2.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.645 -175.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.431 ' HD3' ' CB ' ' A' ' 117' ' ' ALA . 50.2 mtpt -67.79 -19.82 65.13 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.986 0.422 . . . . 0.0 110.608 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -80.47 2.87 23.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.985 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 69.79 21.08 6.57 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.587 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.47 130.21 35.85 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.623 176.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 91.1 mtm180 -100.96 132.91 46.14 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.044 0.449 . . . . 0.0 110.795 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 72.6 m-85 -129.25 152.15 49.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.239 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.9 t -111.54 122.24 47.3 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.447 HD12 HD21 ' A' ' 85' ' ' LEU . 88.2 mt -111.06 127.72 55.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.285 0.564 . . . . 0.0 111.688 -173.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -95.31 95.0 8.19 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.736 173.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.586 HD12 ' HG ' ' A' ' 85' ' ' LEU . 50.7 tp -82.47 115.16 21.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.716 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.9 p -135.16 -166.97 1.92 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.864 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.51 -19.69 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.977 0.418 . . . . 0.0 110.553 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.4 3.18 55.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.775 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.43 -143.25 16.42 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.327 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.586 ' HG ' HD12 ' A' ' 80' ' ' LEU . 5.5 mp -101.86 116.17 32.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.046 0.451 . . . . 0.0 110.271 -177.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.474 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 34.2 tttt -116.09 136.47 52.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.73 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.538 ' HB ' HG22 ' A' ' 101' ' ' THR . 59.9 t -85.97 110.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.806 0.336 . . . . 0.0 110.248 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.507 ' HB ' ' HA ' ' A' ' 95' ' ' VAL . 3.6 m -91.63 -5.1 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.506 ' HA2' HD21 ' A' ' 99' ' ' LEU . . . 169.47 164.64 25.52 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.47 178.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 8.3 p90 -118.57 75.82 1.05 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.967 0.889 . . . . 0.0 110.298 176.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.88 -179.32 3.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.884 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -88.5 107.38 18.85 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 64.55 78.74 0.27 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.445 -174.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -146.57 108.59 4.39 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.507 ' HA ' ' HB ' ' A' ' 88' ' ' VAL . 77.9 t -124.31 121.35 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.972 0.415 . . . . 0.0 112.041 -173.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 6.5 t70 -146.66 142.79 28.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.957 170.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -89.82 -1.14 57.92 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.404 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -99.02 0.57 44.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.506 HD21 ' HA2' ' A' ' 89' ' ' GLY . 8.5 mp -74.98 121.84 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.474 -0.49 . . . . 0.0 109.775 171.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -85.56 75.09 10.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.163 0.506 . . . . 0.0 111.171 -174.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.538 HG22 ' HB ' ' A' ' 87' ' ' VAL . 40.9 p -111.08 134.18 21.11 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.967 176.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.83 125.37 15.25 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.674 2.249 . . . . 0.0 112.686 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.474 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 85.2 m-85 -61.72 122.88 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.745 174.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -109.55 140.65 43.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.955 0.407 . . . . 0.0 110.284 175.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -76.64 -27.96 55.87 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.76 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 46.0 p -131.46 150.07 52.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.758 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.26 -22.5 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.424 178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.472 ' HA ' ' OH ' ' A' ' 118' ' ' TYR . 25.8 m-85 -56.7 -63.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 -178.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.482 ' O ' HG21 ' A' ' 113' ' ' THR . 7.6 m -70.11 -19.66 63.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.428 -176.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.5 tp -80.57 -54.79 5.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 111.068 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.507 HD21 ' CD1' ' A' ' 118' ' ' TYR . 14.6 tp -63.87 -25.06 67.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.087 0.47 . . . . 0.0 109.874 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.96 -35.5 80.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.318 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.482 HG21 ' O ' ' A' ' 109' ' ' SER . 58.1 p -74.18 -8.25 55.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.217 0.532 . . . . 0.0 110.877 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.2 mt -112.28 -44.23 3.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.874 -175.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.454 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 56.2 m -119.01 122.74 29.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.636 -178.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.35 -18.33 26.5 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.482 2.121 . . . . 0.0 110.942 172.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.437 ' HA ' ' CD ' ' A' ' 120' ' ' GLU . . . -73.19 -10.14 59.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.061 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.507 ' CD1' HD21 ' A' ' 111' ' ' LEU . 74.8 t80 -64.4 -51.28 64.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.283 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -72.74 -19.85 61.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.128 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.437 ' CD ' ' HA ' ' A' ' 117' ' ' ALA . 89.5 mt-10 -68.17 -54.87 14.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.1 90.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.887 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 89.9 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.977 176.004 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.729 0.3 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -133.41 -176.82 4.27 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.188 -175.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 t -143.74 -177.52 5.45 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 174.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.7 121.28 29.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.098 0.475 . . . . 0.0 110.393 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.588 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 11.2 p -82.47 -166.1 1.2 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.671 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -106.62 92.64 7.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.185 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.588 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 92.7 Cg_endo -97.53 -158.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 123.465 2.777 . . . . 0.0 111.859 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.5 148.04 43.73 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.73 125.16 46.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.551 0.691 . . . . 0.0 110.634 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.4 mt -90.18 13.51 14.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.997 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 m -130.62 178.91 6.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.098 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 p -61.93 -58.53 7.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.111 0.481 . . . . 0.0 110.349 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.8 ttt -154.39 153.45 31.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 m -72.4 92.25 1.42 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.83 0.347 . . . . 0.0 110.694 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -130.58 93.18 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -93.4 -37.71 11.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.059 0.457 . . . . 0.0 110.087 -177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -92.96 132.13 37.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.295 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -138.56 147.2 42.76 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.78 -55.5 0.32 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.123 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -67.02 151.58 47.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.518 0.199 . . . . 0.0 110.468 177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -84.6 141.22 30.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.074 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 tt -90.64 -40.69 11.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.108 -172.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -59.79 119.52 7.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.016 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -146.38 -114.05 0.83 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.575 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -87.01 -25.98 23.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.925 0.393 . . . . 0.0 111.189 -176.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -121.21 109.2 14.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.724 -177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -107.73 72.0 0.21 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.841 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.2 m -80.47 123.77 28.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.95 0.405 . . . . 0.0 111.106 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.21 -26.51 68.83 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.365 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.1 ttp 72.42 16.38 4.98 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.918 0.761 . . . . 0.0 109.708 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.62 ' HE3' ' HG3' ' A' ' 36' ' ' GLU . 37.1 tttp -70.82 115.81 10.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.188 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -90.75 126.55 36.04 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.508 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 18.7 tpp -70.41 -32.6 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.758 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -66.86 -41.9 86.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.152 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.4 tp -50.68 -59.8 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.031 174.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.62 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 6.4 mm-40 -61.32 -33.86 74.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.441 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.459 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -64.24 -54.19 37.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.23 -177.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.46 -25.04 67.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.4 -44.64 67.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.531 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 36' ' ' GLU . 58.6 t -64.18 -47.85 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.114 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 37' ' ' ALA . 79.1 t -54.36 -43.96 64.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.596 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -66.56 -38.85 87.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.419 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -75.62 -35.93 60.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.405 -170.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -105.53 8.67 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.42 -29.24 68.86 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -70.1 -22.55 63.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -172.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.13 8.44 42.99 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -171.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 34.8 m -140.35 -177.06 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -80.22 -55.58 4.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.158 0.504 . . . . 0.0 110.154 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -153.43 136.62 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.138 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.538 ' HE1' ' HB ' ' A' ' 68' ' ' VAL . 18.7 ttt -138.12 135.42 35.73 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -160.99 157.67 26.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.721 0.296 . . . . 0.0 110.466 -175.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.19 137.38 23.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.075 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.3 m -68.82 115.54 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.218 0.532 . . . . 0.0 110.587 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 75.3 tttt -96.6 3.68 52.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.497 -176.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -104.61 12.56 32.88 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.347 -173.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -135.12 -93.82 0.28 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.696 -176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -176.76 159.43 1.79 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.408 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.5 p -164.88 112.89 1.04 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -143.6 89.65 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.058 -174.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 33' ' ' MET . 32.1 m-20 68.13 -71.28 0.11 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.061 168.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -80.27 -28.55 38.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.081 0.467 . . . . 0.0 111.204 -175.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -135.18 138.28 48.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.082 0.467 . . . . 0.0 111.365 -173.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.34 133.02 20.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.998 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -94.69 128.97 41.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.066 0.46 . . . . 0.0 110.739 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.0 mt -119.44 155.86 21.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.445 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -128.51 139.14 52.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.065 0.46 . . . . 0.0 110.056 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.538 ' HB ' ' HE1' ' A' ' 51' ' ' MET . 7.7 p -129.78 131.97 66.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.932 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.512 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 45.7 tt0 -120.94 108.96 14.51 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.166 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 115' ' ' SER . 68.8 p -72.22 -179.23 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.836 -173.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.591 ' HB3' ' HZ3' ' A' ' 71' ' ' LYS . 7.2 mtpm? -67.87 -25.53 65.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.112 -175.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -94.42 18.06 11.88 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.941 0.401 . . . . 0.0 110.642 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.88 7.36 5.45 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.409 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -72.13 132.74 44.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' A' ' 92' ' ' PHE . 99.3 mtt180 -113.92 136.22 53.13 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.099 0.476 . . . . 0.0 111.222 -174.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -129.72 132.7 46.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.31 175.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.0 t -103.39 129.75 50.55 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 67.6 mt -118.45 128.69 54.84 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.129 0.49 . . . . 0.0 111.45 -171.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -93.65 98.35 11.08 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.508 ' HG ' ' SD ' ' A' ' 33' ' ' MET . 40.1 tp -81.23 121.95 26.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.91 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -142.84 -174.92 4.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.935 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -13.75 62.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.842 0.354 . . . . 0.0 110.962 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.28 -3.28 58.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.513 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.71 -147.0 16.61 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.834 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.45 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.2 mp -104.04 114.48 28.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 0.0 110.082 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.738 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 55.3 tttt -112.71 113.14 25.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.541 -176.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.644 HG11 ' HB ' ' A' ' 101' ' ' THR . 4.0 p -66.27 123.55 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.021 0.439 . . . . 0.0 109.952 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.497 ' HB ' HG12 ' A' ' 95' ' ' VAL . 6.2 m -119.32 4.63 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.435 -177.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.566 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -177.19 160.01 26.67 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.505 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -121.16 29.48 7.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.436 0.636 . . . . 0.0 110.138 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.407 ' HB3' ' HB2' ' A' ' 94' ' ' GLN . . . -147.27 167.08 25.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.449 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.516 ' HB2' ' HD3' ' A' ' 75' ' ' ARG . 35.2 t80 -69.24 116.67 9.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.728 0.299 . . . . 0.0 110.903 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 65.14 30.97 11.26 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.903 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.747 HE21 ' HA ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -99.26 112.37 24.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.223 178.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.497 HG12 ' HB ' ' A' ' 88' ' ' VAL . 95.6 t -131.96 116.01 28.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.152 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.616 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 25.8 t70 -106.93 137.13 45.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.329 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.76 -10.15 59.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.29 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -104.1 1.57 31.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.616 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 19.6 mt -76.24 112.95 13.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.377 0.608 . . . . 0.0 110.981 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.14 30.46 1.9 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.273 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.644 ' HB ' HG11 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -66.02 132.88 94.69 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.619 -178.639 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.04 136.94 54.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.221 2.614 . . . . 0.0 113.936 -173.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.738 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 1.2 p90 -92.04 144.24 25.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.566 175.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -106.31 168.97 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.612 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.505 ' HG3' HG21 ' A' ' 106' ' ' THR . 16.8 tp10 -69.44 -64.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.903 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.505 HG21 ' HG3' ' A' ' 105' ' ' GLU . 81.4 p -118.26 176.63 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 -177.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.1 p -71.51 -26.84 27.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.348 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -65.15 -58.82 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.61 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.2 m -69.62 -4.19 18.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.667 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.466 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 54.9 tp -96.62 -60.76 1.54 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 0.0 110.812 177.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.0 tp -69.0 -20.28 64.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.121 -173.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.15 -25.67 65.39 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 122.249 1.024 . . . . 0.0 108.981 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.89 -19.61 18.72 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.543 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 89.7 mt -84.49 -29.93 25.61 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.271 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.482 ' HB2' HG22 ' A' ' 70' ' ' THR . 38.6 t -145.19 116.4 5.13 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.391 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.14 -25.63 72.87 Favored 'Trans proline' 0 CA--C 1.527 0.13 0 C-N-CA 122.523 2.149 . . . . 0.0 111.309 175.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.44 -33.06 74.87 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.574 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -60.97 -38.82 87.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.072 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -67.69 -41.69 83.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.33 -37.55 83.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.338 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.42 -39.12 93.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.541 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -61.46 -41.77 97.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.996 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.61 -37.79 93.97 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.581 177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.84 -46.92 85.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.003 0.43 . . . . 0.0 110.588 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.76 -25.68 64.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.374 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.9 tp -75.05 -46.98 31.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.711 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 pp -67.33 -19.27 65.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.078 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.15 -35.9 80.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.914 0.388 . . . . 0.0 110.526 174.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -35.03 72.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.022 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.36 -54.34 45.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.683 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.99 -24.69 62.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.251 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.49 97.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.583 175.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.82 -22.22 37.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.451 ' HB2' ' HZ1' ' A' ' 134' ' ' LYS . 4.2 ttmp? -72.52 -44.85 61.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.921 0.391 . . . . 0.0 110.193 177.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.41 ' HD2' ' HA ' ' A' ' 135' ' ' ARG . 15.8 tpt180 -75.76 -53.64 8.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.943 0.401 . . . . 0.0 110.11 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -103.35 115.3 30.28 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 148.23 -52.8 0.54 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.485 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -99.0 2.97 46.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.409 0.623 . . . . 0.0 110.238 175.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.25 1.129 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.073 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.69 -15.93 59.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.406 0.622 . . . . 0.0 109.59 173.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.4 m -64.29 -41.03 97.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.105 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -99.61 79.39 2.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.848 0.832 . . . . 0.0 110.656 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.4 p -96.86 175.21 6.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.937 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -58.85 128.72 84.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.135 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -91.48 -158.15 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 123.212 2.608 . . . . 0.0 112.828 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.8 mmm -96.66 -149.88 0.33 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.288 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.0 -41.35 71.16 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.13 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.9 tp 75.62 -47.38 0.59 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 171.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.441 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 12.8 t -59.12 -36.08 74.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.487 0.18 . . . . 0.0 111.487 -175.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 m 67.31 -176.0 0.2 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 123.535 0.522 . . . . 0.0 111.723 175.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -69.19 119.59 13.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.027 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.6 m 61.69 28.29 17.45 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.65 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 11' ' ' SER . . . -78.73 65.62 3.45 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.325 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -83.24 -62.94 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.084 0.469 . . . . 0.0 110.878 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -112.49 101.91 10.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.715 -174.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.12 17.85 7.21 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.355 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.72 -110.61 3.87 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.7 m -141.36 93.32 2.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.029 0.442 . . . . 0.0 110.182 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -97.45 13.18 30.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.505 -175.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.5 tp -138.06 119.49 14.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -117.82 145.97 44.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.606 -177.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.71 56.73 0.68 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.108 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -114.35 21.24 14.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.102 0.477 . . . . 0.0 110.806 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -88.19 115.82 25.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.753 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.94 74.63 0.83 Allowed Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.136 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -75.8 -20.36 58.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.455 0.645 . . . . 0.0 109.909 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -73.7 98.29 2.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.829 0.823 . . . . 0.0 110.112 176.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.0 ptp -131.33 22.05 4.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.24 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HE3' ' HG3' ' A' ' 36' ' ' GLU . 65.7 tttp -162.41 112.21 1.47 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -175.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.579 ' HB2' ' CB ' ' A' ' 35' ' ' LEU . 2.8 m-20 -62.55 116.05 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.702 -175.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.8 tpp -65.7 -32.13 73.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.243 0.544 . . . . 0.0 110.155 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -72.38 -32.49 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.93 178.398 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.579 ' CB ' ' HB2' ' A' ' 32' ' ' ASP . 17.7 tp -57.08 -57.06 14.21 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.639 176.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.491 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 9.1 mm-40 -63.27 -34.16 77.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.474 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -61.45 -51.69 67.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.465 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.71 -40.47 92.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.226 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.26 74.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.279 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.77 -41.56 85.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.728 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 42.0 t -53.88 -37.49 33.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.309 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -29.37 37.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.844 0.354 . . . . 0.0 111.521 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -80.34 -48.8 12.42 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -172.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -100.44 5.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.728 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 7.3 tt -62.08 -27.71 69.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 110.251 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.58 -19.79 65.12 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.307 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 118' ' ' TYR . . . -88.01 -22.89 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.197 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.52 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 26.9 m -122.45 -168.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.69 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -93.89 -48.93 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.119 0.485 . . . . 0.0 110.979 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -144.77 145.05 31.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.342 -173.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.504 ' HG2' HG23 ' A' ' 68' ' ' VAL . 73.1 mtp -142.7 116.45 9.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -145.17 134.25 22.67 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.83 HG12 HG12 ' A' ' 66' ' ' ILE . 19.5 m -73.51 153.5 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.84 0.352 . . . . 0.0 111.059 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.446 ' HB3' ' OD1' ' A' ' 93' ' ' ASP . 15.1 m -72.29 167.49 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.268 -175.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.496 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 14.1 tmtt? -130.77 -23.1 2.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -177.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.0 m -91.09 16.1 10.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.413 0.625 . . . . 0.0 110.428 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mp -127.84 -102.7 0.33 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.104 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -174.91 150.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 110.356 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 p -141.51 78.79 1.65 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.572 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.1 22.52 5.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.227 -172.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.507 ' OD1' ' HB3' ' A' ' 34' ' ' ARG . 38.6 m-20 74.62 -4.96 2.22 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.429 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -96.85 -26.92 14.92 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 169.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.6 p -142.68 147.19 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.199 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.13 125.4 11.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.685 0.279 . . . . 0.0 110.897 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -99.06 123.18 43.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.381 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.83 HG12 HG12 ' A' ' 53' ' ' VAL . 40.3 mt -115.05 133.63 60.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.56 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.436 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 13.4 m120 -103.08 116.56 32.74 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 51' ' ' MET . 7.7 p -114.25 128.96 71.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.54 -175.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.6 tt0 -109.14 114.07 27.46 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.853 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.0 p -65.03 173.19 2.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.131 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 97.4 mttt -80.13 -1.14 38.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.312 0.577 . . . . 0.0 111.054 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -96.03 7.42 46.44 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 ttt-85 63.69 15.7 9.16 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.748 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -83.24 112.06 19.52 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' HD3' ' CE2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -97.08 140.43 31.61 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.899 -174.104 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 82.8 m-85 -131.43 161.11 33.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.747 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.0 m -109.62 121.96 46.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.164 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 71.9 mt -110.13 126.86 54.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.814 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -94.77 106.35 18.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.084 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.422 HD13 ' HG ' ' A' ' 85' ' ' LEU . 62.8 tp -90.98 121.81 33.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.662 -177.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -137.81 -173.41 3.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.19 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.87 -8.78 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.097 0.475 . . . . 0.0 110.454 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.53 -17.68 35.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.149 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.46 -160.29 23.04 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.209 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.422 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.8 mp -101.76 115.92 31.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.864 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 26.4 tttm -113.39 115.91 28.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.818 -176.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.66 131.09 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.205 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.477 ' HB ' HG13 ' A' ' 95' ' ' VAL . 16.3 m -124.52 -5.86 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.59 175.81 47.2 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 119.663 -1.256 . . . . 0.0 113.194 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -131.06 66.88 1.53 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.3 0.572 . . . . 0.0 110.614 -179.504 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' A' ' 94' ' ' GLN . . . -174.91 -155.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.233 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.438 ' CE2' ' HD3' ' A' ' 75' ' ' ARG . 48.5 m-85 -108.63 128.05 54.5 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.446 ' OD1' ' HB3' ' A' ' 54' ' ' SER . 10.9 m-20 59.71 28.55 18.02 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.618 0.574 . . . . 0.0 111.392 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . 6.3 tp-100 -104.75 103.85 13.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 -176.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.477 HG13 ' HB ' ' A' ' 88' ' ' VAL . 94.9 t -117.4 117.49 55.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.469 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.477 ' HB3' HD11 ' A' ' 99' ' ' LEU . 47.9 t0 -125.0 137.64 54.24 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.533 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -85.75 0.4 52.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.946 0.403 . . . . 0.0 110.347 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.414 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 34.3 m-70 -82.84 -11.95 57.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.338 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.477 HD11 ' HB3' ' A' ' 96' ' ' ASP . 7.9 mp -92.28 112.41 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.007 0.432 . . . . 0.0 110.765 176.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -100.18 28.44 4.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.313 176.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.31 118.1 36.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.387 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.85 145.27 90.29 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.896 2.398 . . . . 0.0 112.588 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.864 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 10.0 p90 -80.8 148.23 30.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.872 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -107.92 143.9 35.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -72.78 -2.27 19.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.002 0.43 . . . . 0.0 111.6 -172.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.441 HG22 ' HB3' ' A' ' 109' ' ' SER . 0.0 OUTLIER -155.01 147.54 24.17 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.349 -176.71 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.84 -24.43 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.708 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -71.58 -45.75 61.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.009 0.433 . . . . 0.0 110.361 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.441 ' HB3' HG22 ' A' ' 106' ' ' THR . 26.3 t -67.1 -22.88 65.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.963 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.505 ' O ' HG23 ' A' ' 113' ' ' THR . 58.3 tp -86.96 -54.08 4.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.352 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.68 -21.81 66.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.9 0.381 . . . . 0.0 110.723 -175.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.65 -39.5 80.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.885 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 110' ' ' LEU . 11.3 t -91.84 -10.78 38.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 -176.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.2 mt -92.91 -24.54 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.539 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.412 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 50.2 m -148.58 123.57 4.99 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.756 0.312 . . . . 0.0 111.779 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 21.8 Cg_endo -64.13 -25.39 65.62 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.151 1.9 . . . . 0.0 110.626 170.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 120' ' ' GLU . . . -65.9 -22.13 66.49 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.802 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.495 ' HA ' ' HB2' ' A' ' 47' ' ' ALA . 68.3 t80 -64.15 -40.65 96.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.427 0.632 . . . . 0.0 109.466 174.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -80.33 -30.5 38.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.738 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 117' ' ' ALA . 1.2 mp0 -60.71 -51.9 67.38 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.992 169.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.41 97.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.179 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -62.08 -47.15 85.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.291 . . . . 0.0 110.387 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -64.71 -36.5 93.2 Favored Glycine 0 CA--C 1.508 -0.406 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.143 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -71.43 -35.38 70.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.489 0.185 . . . . 0.0 111.005 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.98 -45.23 71.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.694 0.283 . . . . 0.0 111.012 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.81 -38.88 92.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.53 -51.02 71.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.167 174.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -60.9 -40.97 95.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.595 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 58.7 ttt-85 -63.2 -40.4 97.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.691 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 67.7 mt -60.46 -46.35 90.4 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.201 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.64 -45.85 90.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.113 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.18 -49.75 73.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.701 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 75.6 mt -75.22 -34.09 61.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.279 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -72.88 -33.15 65.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.075 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -89.63 -5.38 57.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -117.79 132.96 56.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.687 0.28 . . . . 0.0 111.113 -177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 130.48 -175.79 19.15 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.935 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -144.94 -178.14 5.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.5 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.28 178.605 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -102.24 -52.73 3.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.204 0.526 . . . . 0.0 109.932 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.4 p -104.75 130.61 52.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.231 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.423 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 31.3 t70 -113.54 -97.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 176.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 4' ' ' ASP . 54.1 m -167.29 -56.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.077 0.551 . . . . 0.0 109.811 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -127.22 113.3 21.54 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.437 -175.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.28 154.9 21.95 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 123.364 2.709 . . . . 0.0 111.956 175.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.8 ttp -108.05 -7.39 16.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.4 0.619 . . . . 0.0 110.391 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -64.24 -25.4 68.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.565 -175.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.3 tp -107.89 99.56 9.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.737 176.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.4 t -121.5 157.34 30.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.058 -178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 t -77.77 124.56 28.13 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.9 ttt -88.7 126.45 35.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.0 t -155.0 150.21 27.1 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.95 177.43 21.4 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.105 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -78.16 93.49 4.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.306 0.574 . . . . 0.0 110.861 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -123.08 -80.79 0.63 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.376 -0.829 . . . . 0.0 108.767 174.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -88.43 -12.87 41.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.852 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.69 88.93 0.14 Allowed Glycine 0 C--N 1.33 0.236 0 CA-C-N 115.474 -0.785 . . . . 0.0 113.351 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.8 t -145.03 145.27 31.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 176.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 69.77 118.67 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.69 0.619 . . . . 0.0 111.12 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt 61.8 86.31 0.11 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.968 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -76.63 115.22 16.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.263 172.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.69 172.25 44.55 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.226 -0.988 . . . . 0.0 112.659 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -112.15 175.76 5.3 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -80.01 80.18 6.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.86 57.84 4.93 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.206 -177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 t -121.4 99.33 6.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.712 0.768 . . . . 0.0 109.742 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.31 -31.43 60.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.128 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.7 ttp -135.81 134.35 38.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.635 173.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' HD3' ' CG ' ' A' ' 36' ' ' GLU . 37.0 ttmt -72.43 141.08 48.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.721 0.296 . . . . 0.0 110.777 -177.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 66.0 t0 -84.47 112.01 20.0 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.511 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 22.9 ttm -77.14 -18.83 57.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.15 0.5 . . . . 0.0 109.881 -177.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.546 ' HB3' ' OD1' ' A' ' 32' ' ' ASP . 22.3 ttp180 -66.64 -29.92 70.07 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 172.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.576 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 5.5 tp -67.29 -50.5 60.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.774 173.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' CG ' ' HD3' ' A' ' 31' ' ' LYS . 6.2 mm-40 -57.69 -30.72 65.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.845 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.462 ' O ' HG21 ' A' ' 41' ' ' VAL . . . -64.93 -54.65 27.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.263 -175.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.93 -26.71 68.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.796 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.67 -46.11 63.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.505 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 44' ' ' VAL . 55.5 t -63.94 -45.07 97.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.576 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 54.8 t -52.25 -41.3 33.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.515 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.78 -29.59 56.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -78.68 -53.46 7.13 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 40' ' ' VAL . 33.4 m -84.22 4.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.874 0.369 . . . . 0.0 111.306 -174.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 39.0 tp -60.46 -23.29 64.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.892 178.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -70.99 -24.71 62.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.992 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' A' ' 118' ' ' TYR . . . -85.68 -21.49 28.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 111.214 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 31.2 m -119.3 -168.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.533 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 10.4 t30 -100.95 -37.36 8.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 110.689 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.527 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 9.3 t30 -149.9 153.3 36.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.859 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.576 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 14.6 ttt -162.45 139.04 7.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -160.96 139.89 10.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.481 0.181 . . . . 0.0 110.539 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.612 HG11 HG12 ' A' ' 66' ' ' ILE . 15.4 m -77.53 122.48 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.546 ' HB2' HD13 ' A' ' 57' ' ' LEU . 54.7 m -70.72 128.31 35.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.04 0.448 . . . . 0.0 111.865 -171.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.74 -7.48 59.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.788 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 m -94.54 4.79 53.41 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.536 0.684 . . . . 0.0 109.575 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 54' ' ' SER . 68.0 mt -122.75 -163.56 1.11 Allowed 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.164 -175.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' HB3' ' CD2' ' A' ' 65' ' ' TYR . 16.0 tpt180 -110.3 138.77 46.24 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.876 -171.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 4.6 p -157.75 84.21 0.89 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.31 0.576 . . . . 0.0 110.164 174.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.24 -64.47 1.16 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.541 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.85 -56.54 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.554 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -89.45 2.8 54.02 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.059 0.457 . . . . 0.0 110.943 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.569 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.6 p -141.6 129.4 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.558 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.23 119.06 13.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.256 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.481 ' HB3' HD12 ' A' ' 57' ' ' LEU . 47.6 m-85 -86.46 113.81 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.125 0.488 . . . . 0.0 110.829 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.612 HG12 HG11 ' A' ' 53' ' ' VAL . 41.7 mt -117.74 145.35 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.455 -175.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.435 ' OD1' ' HA ' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -113.05 133.87 54.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.025 0.44 . . . . 0.0 110.389 174.588 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 p -126.69 141.01 47.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.141 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.633 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.2 tt0 -129.08 110.81 12.35 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.417 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.441 HG21 ' HB2' ' A' ' 115' ' ' SER . 53.1 p -66.34 178.19 1.28 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.164 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.533 ' HA ' ' HB2' ' A' ' 49' ' ' ASN . 97.1 mttt -69.89 -21.74 63.29 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.164 0.507 . . . . 0.0 110.074 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -75.87 -2.59 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.774 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 60.38 33.8 20.71 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.397 -173.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -92.03 117.83 30.2 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -96.59 130.3 43.81 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.945 0.402 . . . . 0.0 111.557 -169.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -120.36 144.92 47.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.824 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 38.7 t -110.43 123.62 50.22 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 175.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 67.5 mt -121.23 130.43 53.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.083 0.468 . . . . 0.0 111.757 -172.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -94.26 101.22 13.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HG ' ' SD ' ' A' ' 33' ' ' MET . 64.1 tp -84.03 107.87 16.64 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.063 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 38.0 p -126.51 178.72 5.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.014 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -69.83 -15.23 63.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.159 0.504 . . . . 0.0 109.822 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.35 -5.22 59.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.81 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.3 -165.27 12.25 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.933 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.6 mp -98.79 125.59 44.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.899 0.38 . . . . 0.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -114.93 120.55 40.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.54 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -73.54 109.33 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.427 0.632 . . . . 0.0 110.603 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.3 m -100.77 12.03 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.533 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.03 172.41 22.01 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.587 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -130.01 72.19 1.48 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.975 0.893 . . . . 0.0 110.572 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.53 160.37 10.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.327 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.435 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -72.96 116.57 13.63 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.07 0.462 . . . . 0.0 111.005 -175.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 69.63 29.39 4.24 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.082 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -103.87 123.68 47.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.947 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 56.7 t -132.29 108.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.825 0.345 . . . . 0.0 110.767 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.53 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 9.6 t70 -94.26 116.78 29.22 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -82.54 -3.74 56.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.009 -172.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -101.73 4.92 41.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.005 0.431 . . . . 0.0 110.84 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.53 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 73.5 mt -82.04 123.0 28.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.045 173.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -103.72 31.34 4.49 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.246 0.546 . . . . 0.0 109.937 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.467 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 5.3 p -50.23 133.51 24.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.635 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 26.9 Cg_exo -62.66 145.99 95.2 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.109 2.54 . . . . 0.0 112.724 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -81.95 151.13 27.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.423 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -121.89 139.25 53.88 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.85 -63.09 1.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.37 0.419 . . . . 0.0 111.485 -171.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.5 p -106.43 154.5 20.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.939 0.399 . . . . 0.0 111.611 -177.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.14 -30.62 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.922 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.625 ' HB3' ' HH ' ' A' ' 118' ' ' TYR . 94.1 m-85 -69.04 -47.92 64.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.598 -176.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.9 m -63.93 -31.92 73.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.676 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.93 -52.22 15.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.3 tp -60.72 -28.32 68.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.206 0.527 . . . . 0.0 110.02 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.12 -37.48 87.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.307 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.9 p -83.67 -10.35 58.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.666 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.7 mt -114.36 -17.28 11.83 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -169.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.441 ' HB2' HG21 ' A' ' 70' ' ' THR . 33.4 t -146.66 129.66 8.04 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.085 0.469 . . . . 0.0 111.763 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.86 -18.86 27.81 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.702 2.268 . . . . 0.0 111.598 173.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.502 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . . . -68.18 -29.8 68.75 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.491 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.625 ' HH ' ' HB3' ' A' ' 108' ' ' TYR . 68.7 t80 -61.32 -42.85 99.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.804 174.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -73.64 -26.46 60.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.733 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.75 -58.33 6.56 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.31 69.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.556 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -57.71 -47.57 82.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.499 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.36 -41.66 99.37 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.837 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -64.02 -38.7 92.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.493 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.465 ' O ' ' HD3' ' A' ' 129' ' ' ARG . . . -62.26 -44.06 97.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.82 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.0 mp -61.43 -49.17 77.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.428 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.44 -28.27 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.202 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -39.59 70.16 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' ' 125' ' ' ALA . 7.7 mpt_? -61.85 -38.84 89.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 176.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.65 -42.63 77.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.33 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 0.2 OUTLIER -59.73 -46.22 89.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.185 174.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.16 -30.74 71.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.1 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.16 -38.92 86.28 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -67.48 -30.34 70.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.772 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 131' ' ' GLU . 64.5 mtt180 -84.86 -21.94 29.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.147 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -69.15 111.2 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.228 -174.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 175.17 -153.42 15.46 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.04 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -106.68 129.84 54.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.489 -179.112 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 ttm . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.786 0.327 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -90.87 99.45 12.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 p -67.92 -41.32 82.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.408 0.623 . . . . 0.0 110.524 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -149.97 97.57 2.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.386 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.18 -32.11 68.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.938 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -155.36 105.9 2.22 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.217 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.89 -73.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.583 2.189 . . . . 0.0 111.651 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -166.26 150.64 7.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -93.22 135.64 34.24 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -65.71 -26.98 68.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.214 -173.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.3 m -119.0 99.61 6.84 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 175.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.0 m -121.98 -45.82 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.715 0.293 . . . . 0.0 111.118 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.2 tpp -170.92 152.44 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 m -58.52 102.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.35 0.406 . . . . 0.0 110.107 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.64 130.4 4.37 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.592 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -150.7 92.31 1.82 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -90.58 109.08 20.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.416 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -69.4 -33.26 72.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.951 177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.0 70.4 0.27 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.601 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.4 m -75.72 87.12 2.76 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -57.33 -67.4 0.33 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.173 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -139.94 -57.61 0.56 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -119.71 -44.93 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.89 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.47 10.08 80.41 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.383 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.725 ' HE2' ' HB2' ' A' ' 29' ' ' ASP . 1.5 t80 -87.29 82.71 7.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.137 0.494 . . . . 0.0 110.072 -178.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -99.31 102.98 14.76 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.337 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.01 -7.21 10.13 Favored Glycine 0 C--N 1.334 0.427 0 CA-C-N 115.887 -0.597 . . . . 0.0 113.64 174.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -63.01 -25.95 68.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.725 ' HB2' ' HE2' ' A' ' 25' ' ' PHE . 32.1 t70 -94.16 -8.13 40.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.712 0.291 . . . . 0.0 111.592 -176.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.8 mtt -73.7 113.96 11.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.335 0.588 . . . . 0.0 110.682 -175.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 46.3 mttp -108.02 173.65 6.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.347 -173.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.96 103.12 4.35 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 173.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.3 tpp -62.89 -19.98 64.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.618 0.723 . . . . 0.0 109.284 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -56.17 -32.82 64.67 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.15 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.73 -50.64 41.51 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.196 0.522 . . . . 0.0 109.994 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.61 -28.99 70.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.625 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 41' ' ' VAL . . . -64.25 -50.77 66.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.454 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.75 -29.56 69.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.999 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.36 92.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.012 0.434 . . . . 0.0 109.921 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.432 HG12 HG21 ' A' ' 107' ' ' VAL . 73.1 t -62.34 -46.98 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.848 175.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 37' ' ' ALA . 58.3 t -52.3 -51.82 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.604 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -80.63 2.2 26.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.997 -174.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -100.92 -52.3 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.988 0.423 . . . . 0.0 110.485 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -89.16 2.48 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.733 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 66.6 tp -56.89 -35.88 69.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.221 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -79.63 -7.59 58.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.983 0.421 . . . . 0.0 111.166 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.56 -13.67 21.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.128 0.49 . . . . 0.0 110.834 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.1 m -122.71 -168.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.598 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -98.02 -38.84 9.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.77 0.319 . . . . 0.0 111.079 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.522 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 50.1 t30 -145.37 148.44 33.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.491 ' HG2' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -164.9 118.62 1.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -175.034 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -162.7 162.93 27.1 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.781 0.324 . . . . 0.0 111.117 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.99 149.59 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.429 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.58 ' HA ' HD21 ' A' ' 67' ' ' ASN . 41.0 m -62.98 149.02 45.88 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.955 0.407 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -112.85 -13.09 13.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.394 -174.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.2 m -104.99 11.72 33.13 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.826 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mp -135.94 -157.2 0.77 Allowed 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.27 0.557 . . . . 0.0 110.131 -176.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -136.26 157.11 47.6 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.88 -174.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.1 p -112.27 91.17 3.56 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.81 80.96 5.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.588 -173.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.77 -83.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.06 0.85 . . . . 0.0 111.761 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.578 ' O ' ' HA ' ' A' ' 81' ' ' THR . 25.5 t70 -85.63 -22.45 27.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -171.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -105.3 126.97 60.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.282 0.563 . . . . 0.0 111.507 -176.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.26 118.88 19.09 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.39 173.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.419 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 82.1 m-85 -87.21 133.78 33.62 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 HG21 ' HE3' ' A' ' 51' ' ' MET . 33.2 mt -129.96 144.86 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.426 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.58 HD21 ' HA ' ' A' ' 54' ' ' SER . 58.7 m-80 -105.35 139.09 40.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.391 . . . . 0.0 110.177 174.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.491 HG21 ' HG2' ' A' ' 51' ' ' MET . 7.4 p -133.14 134.13 57.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.061 0.458 . . . . 0.0 110.616 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.522 ' HB3' ' HB3' ' A' ' 50' ' ' ASN . 36.1 tt0 -117.5 102.5 9.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.072 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 115' ' ' SER . 74.1 p -70.51 -177.26 1.44 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.487 -175.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -77.97 -20.61 52.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.844 0.354 . . . . 0.0 111.115 -176.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.551 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 1.3 mp0 -84.54 3.04 38.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 171.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 64.45 35.24 9.67 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.087 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.551 ' ND2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 m-80 -89.76 132.4 35.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 172.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -95.59 135.09 37.7 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 177.496 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.464 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 87.9 m-85 -129.41 142.03 50.9 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.778 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.0 m -104.36 119.76 39.68 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.45 HD22 HD21 ' A' ' 110' ' ' LEU . 58.6 mt -111.32 133.94 53.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.28 0.562 . . . . 0.0 111.402 -173.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.435 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 32.6 tt0 -100.95 98.27 8.76 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.037 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.54 HD13 ' HG ' ' A' ' 85' ' ' LEU . 57.7 tp -87.07 118.65 26.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 21.0 p -140.52 -172.21 3.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.375 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.44 -24.63 56.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.941 0.401 . . . . 0.0 111.075 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.95 0.84 56.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.567 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.21 -146.04 16.37 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.894 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.54 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.1 mp -107.14 123.03 47.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.453 0.644 . . . . 0.0 110.948 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.524 ' HB2' ' CD2' ' A' ' 103' ' ' TYR . 62.7 tttt -113.89 150.82 33.1 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.781 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.666 ' HB ' ' OG1' ' A' ' 101' ' ' THR . 66.0 t -97.56 125.05 50.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.528 ' HB ' HG11 ' A' ' 95' ' ' VAL . 25.0 m -114.02 4.39 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.755 0.312 . . . . 0.0 111.643 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.493 ' HA2' HD23 ' A' ' 99' ' ' LEU . . . 163.4 165.67 20.94 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.101 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -125.75 75.71 1.51 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.009 0.909 . . . . 0.0 110.539 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.408 ' HB2' ' CB ' ' A' ' 94' ' ' GLN . . . -166.11 -173.95 2.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.387 -1.279 . . . . 0.0 108.355 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -93.07 110.0 21.48 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 55.83 69.57 0.72 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.932 -174.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 9.2 tp-100 -143.9 104.48 4.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.247 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.528 HG11 ' HB ' ' A' ' 88' ' ' VAL . 85.6 t -105.67 121.58 58.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.012 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -124.88 125.21 43.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.144 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.52 -4.43 26.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.827 -176.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -77.17 -19.11 57.24 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.493 HD23 ' HA2' ' A' ' 89' ' ' GLY . 7.8 mp -103.78 111.67 24.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.689 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.12 37.3 4.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.892 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.666 ' OG1' ' HB ' ' A' ' 87' ' ' VAL . 2.2 p -48.48 138.76 11.36 Favored Pre-proline 0 C--O 1.234 0.256 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.633 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -52.67 138.56 58.87 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.89 3.06 . . . . 0.0 113.613 -171.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.524 ' CD2' ' HB2' ' A' ' 86' ' ' LYS . 70.2 m-85 -62.77 129.41 40.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.049 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -97.01 144.43 26.91 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 121.049 -0.261 . . . . 0.0 110.41 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.05 -42.61 84.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.037 -172.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 61.8 p -130.34 162.22 29.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.518 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.432 HG21 HG12 ' A' ' 40' ' ' VAL . 11.4 p -69.66 -26.84 31.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 109.723 175.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -64.72 -48.53 74.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.953 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 113' ' ' THR . 27.2 t -68.45 -29.13 67.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.655 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.45 HD21 HD22 ' A' ' 78' ' ' LEU . 35.4 tp -72.36 -57.85 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.505 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.66 -24.5 67.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.7 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.42 -33.21 75.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.764 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 109' ' ' SER . 63.1 p -86.92 -10.05 54.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.364 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.6 mt -113.59 -28.38 7.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -171.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.472 ' HB3' HG21 ' A' ' 70' ' ' THR . 20.0 p -137.29 126.7 15.3 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.574 0.226 . . . . 0.0 111.065 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -73.08 -23.97 17.67 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.765 2.31 . . . . 0.0 112.946 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.91 -6.14 58.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.674 0.274 . . . . 0.0 111.113 -177.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.31 -50.98 69.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.156 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.92 -24.87 65.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.149 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -80.56 -37.99 30.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.94 -0.28 50.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.279 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.402 ' O ' HD13 ' A' ' 126' ' ' LEU . 77.9 t80 -57.32 -40.37 77.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.953 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.54 -33.23 86.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.489 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -65.96 -38.18 87.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.939 0.399 . . . . 0.0 110.257 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.82 88.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.433 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 122' ' ' PHE . 8.6 mp -64.67 -53.63 44.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.419 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 pp -65.89 -21.56 66.46 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.132 0.492 . . . . 0.0 111.003 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.883 HE21 ' HA ' ' A' ' 128' ' ' GLN . 0.0 OUTLIER -69.22 -24.64 64.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.798 -179.131 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 129' ' ' ARG . 3.0 mpt_? -56.08 -42.76 77.23 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.997 0.427 . . . . 0.0 110.671 177.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.8 mp -80.14 -45.98 17.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.209 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.76 -44.17 97.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.467 -176.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.64 -33.19 75.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.487 0.184 . . . . 0.0 111.276 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 48.4 tp -70.83 -29.09 65.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -88.84 -25.5 22.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.637 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -72.35 -43.45 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.482 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.29 136.93 37.17 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -119.31 -147.52 8.09 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.39 -0.91 . . . . 0.0 112.896 -176.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -158.29 125.74 5.07 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.244 -175.658 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.427 ' HG3' ' HG3' ' A' ' 2' ' ' GLU . 44.8 tpp . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 121.033 0.444 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.427 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 46.2 mt-10 -124.43 179.91 4.74 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.7 p -62.7 107.69 1.01 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -80.77 87.05 5.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.423 0.63 . . . . 0.0 110.981 -170.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 67.5 m -129.42 83.66 2.16 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.558 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -158.24 95.68 1.91 Allowed Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -91.04 12.64 2.3 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.146 2.564 . . . . 0.0 111.997 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.2 ptt? -136.52 -156.26 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.086 -177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -144.97 156.02 43.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.145 0.498 . . . . 0.0 110.736 174.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.6 tp -92.11 -58.38 2.41 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 170.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -161.31 80.54 0.6 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.574 -1.193 . . . . 0.0 108.056 170.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -120.97 29.2 7.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.453 -170.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.1 mmt -54.46 124.55 16.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.65 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -145.67 102.92 3.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.666 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.6 115.62 0.72 Allowed Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.37 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -147.33 18.02 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.821 0.343 . . . . 0.0 111.328 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -89.52 20.53 3.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.199 0.523 . . . . 0.0 110.614 -178.682 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.89 133.42 54.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.224 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.07 -32.33 7.6 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.4 -174.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.2 m -97.61 15.15 24.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.363 0.602 . . . . 0.0 109.703 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.66 19.95 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.202 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.3 mt -81.54 85.92 6.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.701 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.463 ' C ' HD21 ' A' ' 23' ' ' ASN . 0.2 OUTLIER 71.16 -55.63 0.65 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.54 0.736 . . . . 0.0 111.954 174.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.72 43.69 7.16 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 -174.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -96.47 111.8 23.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.925 0.393 . . . . 0.0 110.825 -175.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -97.45 107.4 19.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.07 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.77 -30.17 6.23 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.763 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.5 m 66.85 93.3 0.07 Allowed 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.625 0.726 . . . . 0.0 111.049 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' A' ' 30' ' ' MET . 5.3 p-10 -76.26 -67.57 0.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.897 -174.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.423 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 26.1 mmt 68.01 -95.51 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 123.252 0.621 . . . . 0.0 111.715 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -148.67 123.39 9.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.559 0.219 . . . . 0.0 111.204 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.733 ' HA ' ' HA ' ' A' ' 61' ' ' ASP . 45.1 m-20 -84.2 136.72 33.84 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.44 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 33.4 tpp -71.77 -24.54 61.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.582 ' HD3' ' SG ' ' A' ' 59' ' ' CYS . 11.5 mmm180 -56.31 -38.48 71.33 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.448 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 32' ' ' ASP . 5.8 mt -62.94 -57.09 11.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.313 0.577 . . . . 0.0 110.434 -176.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -68.0 -24.06 65.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.093 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -65.92 -52.02 53.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.2 -31.56 72.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.594 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.06 90.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.242 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.79 -47.17 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.738 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.516 HG12 ' HB2' ' A' ' 51' ' ' MET . 76.7 t -53.42 -47.0 59.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.329 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -86.46 4.71 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.891 0.377 . . . . 0.0 111.564 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -101.37 -50.85 3.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.634 0.254 . . . . 0.0 111.067 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -104.38 17.38 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.48 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 51.8 tp -52.78 -37.28 59.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.125 -177.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -74.67 -14.68 60.78 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' O ' ' HE2' ' A' ' 71' ' ' LYS . . . -77.0 -24.66 52.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.191 0.519 . . . . 0.0 110.768 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.543 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.0 m -125.54 -167.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.799 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -76.78 -55.88 5.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -165.18 158.7 16.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.312 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.516 ' HB2' HG12 ' A' ' 41' ' ' VAL . 85.3 mtp -130.16 141.26 50.68 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -142.87 130.03 20.84 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.465 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.532 HG11 HG12 ' A' ' 66' ' ' ILE . 9.0 m -69.55 133.07 32.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.832 0.348 . . . . 0.0 110.542 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.4 ' HB3' HD11 ' A' ' 57' ' ' LEU . 35.7 m -63.42 142.8 58.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.865 -173.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -123.69 6.22 8.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.432 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 m -109.7 0.07 18.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.342 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 54' ' ' SER . 4.9 mp -120.83 -93.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.316 -174.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -169.3 159.45 8.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.582 ' SG ' ' HD3' ' A' ' 34' ' ' ARG . 11.6 p 176.74 155.94 0.26 Allowed 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 123.798 0.686 . . . . 0.0 110.38 171.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -172.36 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.316 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.733 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 22.0 p-10 -121.95 -52.78 1.98 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.643 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -83.78 -41.39 17.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.172 0.51 . . . . 0.0 111.201 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.476 HG13 ' HA ' ' A' ' 59' ' ' CYS . 3.7 p -111.91 139.89 34.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.584 -171.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.81 111.03 3.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.009 173.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -86.02 130.86 34.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.532 HG12 HG11 ' A' ' 53' ' ' VAL . 49.7 mt -126.95 132.33 70.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.56 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -97.88 120.23 37.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.436 HG21 ' HG2' ' A' ' 51' ' ' MET . 4.1 p -112.24 123.71 68.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.942 0.401 . . . . 0.0 110.566 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.543 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 8.3 tp10 -106.85 115.44 30.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.812 177.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.443 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 80.4 p -79.89 170.08 17.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.654 -177.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HE2' ' O ' ' A' ' 47' ' ' ALA . 66.9 mttm -66.06 -17.95 65.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.876 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -88.78 -6.14 57.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.12 23.51 2.66 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.838 0.828 . . . . 0.0 109.899 -175.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -102.19 105.6 16.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.259 173.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.718 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -108.33 150.54 27.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.059 0.456 . . . . 0.0 111.259 -167.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -133.88 149.57 51.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.25 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 69.2 m -100.81 122.49 43.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.2 mt -107.25 131.03 54.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.037 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -93.42 107.26 19.12 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.4 tp -92.74 111.73 23.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.239 0.543 . . . . 0.0 109.912 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 p -140.42 -166.15 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.909 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.16 -9.87 58.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.992 0.425 . . . . 0.0 110.636 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.15 -4.24 59.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.293 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.78 -146.89 16.13 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.685 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.7 mp -102.91 110.26 22.11 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -113.66 110.21 19.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.028 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.64 127.71 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.162 0.506 . . . . 0.0 110.932 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.429 ' HB ' HG13 ' A' ' 95' ' ' VAL . 6.0 m -122.38 4.06 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.117 -175.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.596 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -172.72 158.6 28.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 119.942 -1.123 . . . . 0.0 113.243 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -114.75 18.2 16.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.257 0.551 . . . . 0.0 110.285 -178.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' A' ' 94' ' ' GLN . . . -142.63 162.7 34.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.363 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -67.39 129.56 40.28 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.493 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 63.67 22.97 13.34 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.011 0.819 . . . . 0.0 111.183 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.596 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 19.7 tp60 -106.18 109.2 21.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.51 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.429 HG13 ' HB ' ' A' ' 88' ' ' VAL . 60.8 t -131.65 127.66 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.835 0.35 . . . . 0.0 111.012 -177.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.52 ' OD2' ' HB3' ' A' ' 98' ' ' HIS . 5.1 t70 -136.81 113.81 10.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.468 177.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.76 -10.6 59.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.363 0.602 . . . . 0.0 111.087 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.52 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 19.8 t-80 -70.89 -18.52 62.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.008 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.33 115.08 6.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.799 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 100' ' ' GLN . 2.8 pt20 -93.25 42.44 1.1 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.821 0.82 . . . . 0.0 109.981 -179.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 6.8 p -69.46 138.8 88.97 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.546 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 14.1 Cg_exo -69.11 118.79 5.9 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.766 2.311 . . . . 0.0 111.991 178.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -80.38 162.47 24.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -126.07 155.41 41.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.563 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.72 -59.63 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.57 -172.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.7 p -102.45 158.42 16.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.052 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.6 p -71.84 -26.28 25.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.114 0.483 . . . . 0.0 109.967 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.565 ' HD1' ' HH ' ' A' ' 118' ' ' TYR . 87.7 m-85 -65.42 -56.19 13.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.502 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.8 p -63.05 -33.47 75.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.719 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 113' ' ' THR . 45.2 tp -63.58 -58.33 7.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.649 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.72 -18.05 65.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -81.27 -20.48 40.82 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 -177.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 63.7 m -90.3 -15.49 31.1 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 112.546 -2.115 . . . . 0.0 110.387 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 114' ' ' LEU . 3.8 mm? -102.79 -48.99 3.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.324 -174.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.7 m -126.09 133.58 25.08 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.699 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -75.06 -24.7 12.48 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.569 2.179 . . . . 0.0 111.832 176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.71 -8.65 53.69 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.565 ' HH ' ' HD1' ' A' ' 108' ' ' TYR . 59.4 t80 -60.61 -50.78 72.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.413 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -69.2 -23.58 63.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.913 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -67.32 -49.14 65.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.896 176.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.97 58.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.224 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.6 -26.31 66.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.474 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.432 ' HA2' HD13 ' A' ' 126' ' ' LEU . . . -61.77 -17.52 54.56 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.463 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.96 -34.73 72.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.978 0.418 . . . . 0.0 110.263 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.76 77.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.616 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.432 HD13 ' HA2' ' A' ' 123' ' ' GLY . 7.6 mp -69.9 -44.12 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.18 -177.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.8 -23.87 62.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.933 0.397 . . . . 0.0 110.911 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -79.58 -41.85 26.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.17 0.509 . . . . 0.0 109.866 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -61.46 -31.81 71.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.364 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.464 ' HG ' ' HE3' ' A' ' 134' ' ' LYS . 48.8 tp -63.55 -30.04 71.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.998 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.46 ' HB3' ' NH1' ' A' ' 135' ' ' ARG . 64.3 mm-40 -65.15 -26.99 68.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -75.96 -31.71 59.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.822 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.07 -34.32 77.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.349 0.595 . . . . 0.0 110.105 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.464 ' HE3' ' HG ' ' A' ' 130' ' ' LEU . 92.6 mttt -72.55 -37.32 68.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.552 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.46 ' NH1' ' HB3' ' A' ' 131' ' ' GLU . 78.9 mtt85 -89.43 5.76 43.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.567 -177.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -67.76 -51.31 50.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.992 0.425 . . . . 0.0 110.775 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -149.23 -145.44 4.13 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.93 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -106.29 165.24 11.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.819 0.342 . . . . 0.0 110.645 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.079 177.194 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tmm? . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -128.42 76.36 1.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.413 0.625 . . . . 0.0 110.832 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m -112.06 21.52 15.8 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 174.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 5' ' ' CYS . 32.1 t70 64.52 -98.98 0.07 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.361 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 49.9 t 167.78 -31.48 0.0 OUTLIER 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.55 0.531 . . . . 0.0 110.391 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.9 t30 60.63 65.05 2.23 Favored Pre-proline 0 N--CA 1.464 0.258 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.525 -173.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -96.53 23.38 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.385 2.723 . . . . 0.0 113.018 -173.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.8 tpt -96.55 -52.82 3.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.204 0.526 . . . . 0.0 110.431 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -95.34 159.1 15.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.39 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 tp -84.28 89.97 7.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.184 0.516 . . . . 0.0 109.667 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -81.78 89.92 6.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.927 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 t -95.11 92.93 7.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.843 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.0 ptp -160.99 -178.91 7.11 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.899 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.2 m 59.05 79.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.934 0.771 . . . . 0.0 111.241 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.03 -85.79 0.45 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.282 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -137.32 140.58 41.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.851 0.358 . . . . 0.0 110.167 174.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -79.57 91.41 5.19 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.897 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -73.83 -41.61 62.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.128 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.57 -119.92 0.9 Allowed Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.727 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -145.94 128.22 15.8 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -101.41 179.95 4.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.399 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 tt -71.29 -79.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.441 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -175.52 156.67 1.98 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.27 38.37 3.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.845 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.5 135.61 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -103.34 103.32 13.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.989 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.62 -101.21 0.03 OUTLIER Glycine 0 C--N 1.337 0.596 0 O-C-N 123.884 0.74 . . . . 0.0 113.932 173.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.8 m 73.05 -73.26 0.1 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.125 0.57 . . . . 0.0 111.376 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -109.84 -28.2 8.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.008 0.432 . . . . 0.0 110.865 -178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -76.94 163.01 27.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.179 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -121.26 74.02 1.07 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.704 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' OD2' ' HB3' ' A' ' 34' ' ' ARG . 24.3 t70 -65.87 111.93 3.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.078 0.466 . . . . 0.0 110.235 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 30.8 tpp -68.94 -12.58 61.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.04 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.54 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 59.6 ttp85 -71.09 -23.1 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.457 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.02 -45.45 77.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 40' ' ' VAL . 11.9 mm-40 -63.15 -30.37 71.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.3 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.447 ' O ' HG21 ' A' ' 41' ' ' VAL . . . -69.1 -49.15 59.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.409 -178.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 43.6 mm-40 -58.29 -40.75 82.75 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.299 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.12 84.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.795 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 44' ' ' VAL . 74.5 t -64.29 -49.46 80.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.137 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.57 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 73.0 t -56.05 -41.65 69.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.535 -177.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -77.27 -30.72 54.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.86 0.362 . . . . 0.0 111.147 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -75.68 -47.22 27.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.91 -172.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 40' ' ' VAL . 34.7 m -106.86 15.5 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.6 tp -55.94 -38.4 70.27 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.944 0.402 . . . . 0.0 111.698 -178.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.547 ' HE2' ' HA ' ' A' ' 122' ' ' PHE . 24.7 p90 -73.15 -10.66 60.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.403 -175.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 118' ' ' TYR . . . -83.88 -21.56 31.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 111.227 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.598 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 31.6 m -119.89 -167.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.376 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -84.54 -58.45 2.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -143.95 160.58 40.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.193 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.0 ttt -163.55 137.27 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.491 0.186 . . . . 0.0 110.694 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -162.34 149.73 13.88 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.497 HG21 ' HG3' ' A' ' 34' ' ' ARG . 7.4 p -61.85 145.87 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.405 ' HB3' HD11 ' A' ' 57' ' ' LEU . 31.6 m -63.02 137.39 58.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.019 0.438 . . . . 0.0 110.502 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -107.87 -4.1 18.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.503 -171.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -110.3 7.83 23.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.017 0.437 . . . . 0.0 110.974 -174.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 54' ' ' SER . 5.0 mp -128.97 -148.63 0.38 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.888 -174.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -142.19 161.55 37.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -171.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 24.7 p -132.61 95.35 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.442 0.639 . . . . 0.0 110.099 173.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.05 72.56 5.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.277 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 33' ' ' MET . 0.7 OUTLIER 60.21 -84.9 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.258 -176.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.614 ' O ' ' HA ' ' A' ' 81' ' ' THR . 21.3 t70 -66.33 -34.72 78.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.063 -171.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.571 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 6.5 p -107.16 122.4 61.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.987 0.422 . . . . 0.0 111.81 -174.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.02 127.38 32.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.021 172.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -89.8 129.81 36.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.047 0.451 . . . . 0.0 110.827 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 56.1 mt -115.66 138.25 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.377 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -104.09 132.1 50.68 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.6 p -141.84 141.11 29.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.085 0.469 . . . . 0.0 111.154 -173.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.598 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 44.9 tt0 -123.71 109.06 13.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.19 178.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 115' ' ' SER . 56.1 p -63.0 170.81 2.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.282 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -74.84 -2.64 27.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.754 0.312 . . . . 0.0 111.303 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -95.93 3.53 53.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 171.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 66.97 15.19 10.1 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.76 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 114.8 17.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 171.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.538 ' HD2' ' HD1' ' A' ' 92' ' ' PHE . 53.8 mtm180 -96.05 136.08 36.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.952 0.406 . . . . 0.0 110.42 -177.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -129.6 148.59 51.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.112 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 98.6 m -108.59 116.86 32.77 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 173.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.441 HD13 HD21 ' A' ' 110' ' ' LEU . 31.1 mt -106.15 132.99 51.56 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.701 -172.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -94.66 101.01 12.85 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.64 HD12 HD21 ' A' ' 85' ' ' LEU . 63.4 tp -87.12 115.49 24.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.294 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 9.5 p -124.87 164.88 19.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.036 174.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.04 -26.67 68.66 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.882 0.373 . . . . 0.0 111.012 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.75 -6.49 59.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 139.86 -176.84 20.96 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.204 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.64 HD21 HD12 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -127.42 145.71 50.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.76 0.314 . . . . 0.0 111.083 -178.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.53 160.81 35.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.109 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.1 t -87.59 110.83 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.12 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.516 ' HB ' HG13 ' A' ' 95' ' ' VAL . 17.8 m -109.59 1.55 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.028 0.442 . . . . 0.0 111.589 -178.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.563 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -165.94 162.51 36.0 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.015 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -137.76 45.8 2.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.703 0.763 . . . . 0.0 110.5 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -150.27 -167.59 2.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.544 176.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.538 ' HD1' ' HD2' ' A' ' 75' ' ' ARG . 4.9 t80 -95.12 104.44 16.32 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.84 62.92 1.19 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.23 -174.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.563 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 21.2 tm0? -143.71 115.53 8.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.497 -176.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.516 HG13 ' HB ' ' A' ' 88' ' ' VAL . 71.1 t -123.47 116.29 47.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.682 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.521 ' HB3' HD12 ' A' ' 99' ' ' LEU . 33.9 t70 -107.46 141.28 39.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.238 0.542 . . . . 0.0 111.349 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.93 -22.9 65.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.256 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.411 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 54.7 m80 -84.75 -8.87 58.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -170.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.521 HD12 ' HB3' ' A' ' 96' ' ' ASP . 8.5 mp -77.65 109.39 11.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.265 0.555 . . . . 0.0 110.61 175.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -107.09 70.75 0.81 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.21 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 13.1 p -93.54 157.14 38.97 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.55 -174.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 3.3 Cg_exo -80.53 -166.15 0.39 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.99 2.46 . . . . 0.0 111.307 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -107.32 167.74 9.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.284 0.564 . . . . 0.0 111.087 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -134.58 143.16 47.21 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 164.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.45 -61.25 1.99 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.231 0.539 . . . . 0.0 110.989 -174.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.0 m -122.95 150.68 42.65 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.503 -172.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.56 -25.67 37.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.871 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -63.91 -49.34 73.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.3 m -65.41 -38.74 90.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.068 0.461 . . . . 0.0 110.661 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.441 HD21 HD13 ' A' ' 78' ' ' LEU . 11.3 tp -63.94 -49.7 71.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.335 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.478 HD12 ' CG1' ' A' ' 48' ' ' VAL . 22.5 tp -62.54 -32.98 74.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -174.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.11 -39.55 93.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.171 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.9 p -67.35 -19.57 65.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.248 0.547 . . . . 0.0 111.073 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 47.7 mt -104.08 -45.38 4.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.149 -175.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.484 ' HB2' HG22 ' A' ' 70' ' ' THR . 22.9 t -125.86 99.0 32.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.297 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.93 -16.11 52.95 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.825 2.35 . . . . 0.0 112.169 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.44 -8.15 53.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.396 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.483 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 6.6 t80 -57.96 -45.08 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.459 175.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -70.1 -38.92 75.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.247 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.38 -50.35 68.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.941 0.401 . . . . 0.0 110.61 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.88 95.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.183 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.547 ' HA ' ' HE2' ' A' ' 46' ' ' PHE . 73.4 t80 -64.11 -45.85 86.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.047 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.13 -40.48 99.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.398 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.4 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 9.9 t30 -70.54 -39.31 74.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.881 0.372 . . . . 0.0 110.786 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.98 -30.66 68.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.139 0.495 . . . . 0.0 110.708 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 33.8 tp -68.4 -43.41 77.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.061 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 124' ' ' ASN . 4.5 pp -71.4 -9.73 58.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.652 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -62.13 -27.18 68.76 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.816 0.341 . . . . 0.0 110.097 175.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -64.28 -28.78 69.95 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.346 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.21 -28.1 29.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.033 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -71.62 -45.56 61.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.113 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.55 -30.12 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.752 177.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 58.7 tp -69.38 -49.22 57.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.817 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -71.04 -32.72 69.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.659 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -77.43 -14.46 59.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.64 0.257 . . . . 0.0 111.192 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.12 -39.56 71.95 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 174.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.9 -109.61 3.01 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.337 -0.847 . . . . 0.0 113.021 174.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -104.36 11.5 34.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.25 1.082 0 O-C-N 123.755 0.659 . . . . 0.0 110.321 -175.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.2 mtt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.418 ' HB3' ' H ' ' A' ' 3' ' ' THR . 1.5 mp0 49.33 -154.75 0.1 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 123.883 0.74 . . . . 0.0 112.464 172.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.418 ' H ' ' HB3' ' A' ' 2' ' ' GLU . 9.2 m -79.19 78.07 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.279 0.561 . . . . 0.0 110.188 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -109.41 -39.07 5.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.428 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 p -109.3 138.93 44.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.644 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -133.93 134.68 23.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.504 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.94 101.39 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.558 2.172 . . . . 0.0 112.636 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.5 mmm -103.95 2.09 32.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.083 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -83.95 30.31 0.52 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.576 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.6 tp 61.64 23.62 13.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.62 0.724 . . . . 0.0 110.517 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 t -93.39 178.6 5.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.978 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 t -143.9 -170.89 3.43 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.7 mtt -63.38 108.43 1.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.986 0.422 . . . . 0.0 110.373 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.5 m -94.86 6.05 50.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.146 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.24 151.24 18.73 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.2 p90 39.45 59.55 1.75 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.569 0.747 . . . . 0.0 112.251 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -78.04 110.61 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.258 -177.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -85.64 150.88 24.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.373 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.03 110.44 2.86 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.879 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.1 m -76.54 135.32 39.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.036 0.446 . . . . 0.0 111.122 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -92.56 -17.17 24.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.102 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.55 127.61 32.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.102 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -104.96 158.71 16.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.936 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.47 143.55 28.32 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.496 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -60.66 -43.99 96.98 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.245 0.545 . . . . 0.0 109.573 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -74.89 86.68 2.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.601 172.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 165.49 -41.73 0.28 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 m -91.84 81.4 5.2 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -77.06 -39.99 47.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.342 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.6 tpt -135.12 151.34 50.62 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -113.6 95.82 5.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.244 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.542 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 1.1 m-20 -59.95 107.28 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.516 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.592 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 30.2 tpp -66.47 -18.31 65.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.419 . . . . 0.0 110.86 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 9.8 mtp180 -68.45 -27.72 66.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.6 -178.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 32' ' ' ASP . 6.6 mt -70.44 -46.6 63.55 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 176.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.93 -34.67 72.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.114 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.525 ' O ' HG21 ' A' ' 41' ' ' VAL . . . -67.03 -53.7 28.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.271 -176.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.3 -30.47 70.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.161 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.85 86.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.338 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.474 HG12 HG13 ' A' ' 107' ' ' VAL . 55.0 t -60.31 -45.71 95.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.997 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.656 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 85.0 t -53.08 -57.46 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.829 -177.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -70.46 -27.89 64.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.658 0.266 . . . . 0.0 111.334 -174.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -73.92 -49.18 25.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 m -116.38 19.6 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.656 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 8.4 tt -60.38 -32.78 71.63 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -65.25 -11.82 45.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.531 -175.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HA ' ' CB ' ' A' ' 121' ' ' ALA . . . -86.29 -10.45 54.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.683 0.278 . . . . 0.0 111.261 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.713 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.2 m -134.63 -168.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.149 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -81.96 -47.93 12.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.193 0.52 . . . . 0.0 110.267 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -160.57 154.82 23.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.04 -174.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 22.4 ttm -153.02 139.25 18.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -157.91 151.36 23.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.529 0.204 . . . . 0.0 110.581 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.0 p -76.86 141.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.369 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.456 ' CB ' HD22 ' A' ' 57' ' ' LEU . 13.9 m -80.84 122.03 26.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.11 0.481 . . . . 0.0 111.476 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -113.78 18.58 17.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.688 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -135.36 18.54 3.38 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -172.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 93' ' ' ASP . 7.1 tp -130.01 -83.95 0.54 Allowed 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 113.302 -1.772 . . . . 0.0 109.832 -162.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER 173.29 141.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 168.053 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.4 p -145.85 80.19 1.58 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.654 0.74 . . . . 0.0 111.456 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 62' ' ' ASP . . . -86.86 102.44 14.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 169.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 33' ' ' MET . 25.8 m-20 -32.67 -16.0 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -164.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 60' ' ' ALA . 9.7 t70 -64.56 -25.61 68.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 119.315 0.961 . . . . 0.0 109.106 166.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.2 p -142.12 142.07 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.233 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.67 123.78 8.81 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.497 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 47.0 m-85 -86.25 140.92 29.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.448 0.642 . . . . 0.0 111.404 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 55.2 mt -119.93 134.3 63.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.591 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.8 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 93.9 m-20 -96.29 106.25 18.44 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.911 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.49 ' HB ' ' HG3' ' A' ' 51' ' ' MET . 11.4 p -112.88 135.7 51.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.928 0.394 . . . . 0.0 110.337 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.713 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 26.8 tt0 -115.87 115.74 26.76 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.698 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.8 p -63.34 171.2 2.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -68.24 -14.56 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.715 0.293 . . . . 0.0 111.433 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -93.29 8.99 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.005 0.431 . . . . 0.0 110.292 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 71.64 6.78 5.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.426 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -77.71 122.95 26.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -96.45 146.4 24.81 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.044 0.449 . . . . 0.0 111.223 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -131.58 114.17 14.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.577 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.441 ' O ' HG23 ' A' ' 88' ' ' VAL . 13.9 t -81.64 108.51 15.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 78.6 mt -100.5 133.01 45.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.143 0.497 . . . . 0.0 111.436 -172.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.559 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 41.1 tt0 -93.53 98.82 11.43 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.196 176.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.39 114.63 20.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.851 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.43 HG23 ' HG2' ' A' ' 79' ' ' GLU . 26.1 p -132.94 179.63 6.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.178 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -72.38 -9.15 58.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.02 0.438 . . . . 0.0 110.618 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.34 0.86 46.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.62 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.46 -158.68 14.32 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.693 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.405 ' HB2' HD21 ' A' ' 110' ' ' LEU . 6.3 mp -110.51 127.13 55.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.03 0.443 . . . . 0.0 110.579 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.559 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 81.5 tttt -114.58 154.45 28.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.935 -178.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.524 ' HB ' ' OG1' ' A' ' 101' ' ' THR . 50.1 t -103.21 116.06 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 121.95 -0.469 . . . . 0.0 110.146 177.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.469 HG21 HG22 ' A' ' 95' ' ' VAL . 34.6 m -111.01 -11.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -168.96 163.11 36.9 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 119.578 -1.296 . . . . 0.0 113.327 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -99.76 11.21 39.83 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.77 173.01 12.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.927 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.8 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 46.2 m-85 -72.02 127.28 32.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.339 -178.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.557 ' HA ' HD23 ' A' ' 57' ' ' LEU . 1.7 m-20 64.14 24.36 13.43 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.227 0.537 . . . . 0.0 110.688 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.464 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 20.8 tp60 -100.86 103.45 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.129 -178.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.469 HG22 HG21 ' A' ' 88' ' ' VAL . 94.5 t -110.1 101.6 12.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.501 ' HB3' HD12 ' A' ' 99' ' ' LEU . 10.7 t70 -101.49 145.09 29.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.709 -173.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.83 -14.2 60.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.199 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -92.87 9.25 36.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.342 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 96' ' ' ASP . 6.7 mp -120.41 102.41 8.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.228 0.537 . . . . 0.0 111.824 174.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.22 40.26 3.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.594 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.524 ' OG1' ' HB ' ' A' ' 87' ' ' VAL . 46.7 p -54.75 151.62 14.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.838 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.38 120.5 8.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.905 2.403 . . . . 0.0 112.422 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -84.31 145.36 28.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.103 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -110.49 155.23 22.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.003 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.54 ' HG2' HG23 ' A' ' 106' ' ' THR . 0.0 OUTLIER -67.73 -38.01 82.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.787 -173.272 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.54 HG23 ' HG2' ' A' ' 105' ' ' GLU . 23.5 p -121.68 153.63 37.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.748 0.308 . . . . 0.0 111.429 -176.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.474 HG13 HG12 ' A' ' 40' ' ' VAL . 11.0 p -68.58 -27.12 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -62.19 -56.35 19.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.981 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.9 m -77.42 -3.16 38.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.528 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 85' ' ' LEU . 51.4 tp -95.98 -55.34 3.01 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.999 -0.438 . . . . 0.0 110.724 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' A' ' 114' ' ' LEU . 14.5 tp -62.33 -26.62 68.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.144 0.497 . . . . 0.0 109.88 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.64 -26.89 67.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.198 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 44.6 p -90.87 -2.41 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.347 0.594 . . . . 0.0 110.576 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 111' ' ' LEU . 37.8 mt -110.0 -35.55 6.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.923 -175.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -143.07 111.69 5.61 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.564 0.221 . . . . 0.0 110.945 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.66 -21.79 48.98 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.242 2.628 . . . . 0.0 113.078 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.96 -6.4 38.4 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.656 0.265 . . . . 0.0 111.277 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.408 ' CD1' HD21 ' A' ' 111' ' ' LEU . 77.8 t80 -57.24 -54.9 41.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.531 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -63.45 -41.67 98.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.193 -175.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -62.14 -48.18 81.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.243 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 47' ' ' ALA . . . -61.35 -46.1 91.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -59.84 -49.6 77.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.52 -42.08 99.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.474 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -72.11 -26.73 62.24 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.762 -0.258 . . . . 0.0 111.019 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 129' ' ' ARG . . . -62.28 -36.7 82.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.715 0.293 . . . . 0.0 110.547 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.69 -43.83 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.401 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.3 pp -80.36 -30.33 37.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.75 0.31 . . . . 0.0 111.196 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -72.37 -29.69 64.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.273 0.559 . . . . 0.0 109.705 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 125' ' ' ALA . 1.5 tpt180 -57.6 -39.99 78.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.817 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.08 -46.98 84.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.608 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.526 ' HA ' ' HD3' ' A' ' 134' ' ' LYS . 71.5 mm-40 -63.35 -39.35 94.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.16 83.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.82 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 91.1 mt -68.16 -17.47 64.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.087 0.47 . . . . 0.0 111.063 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.526 ' HD3' ' HA ' ' A' ' 131' ' ' GLU . 54.5 mtpt -88.71 -7.81 55.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.197 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' A' ' 131' ' ' GLU . 11.0 mpt_? -95.15 -1.84 51.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.934 0.397 . . . . 0.0 110.744 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -140.29 137.34 34.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.568 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -135.99 20.43 3.61 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.288 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -142.74 100.36 3.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.695 0.283 . . . . 0.0 110.403 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.354 179.324 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 ttm . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.805 0.336 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -80.78 92.93 6.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.275 0.559 . . . . 0.0 110.569 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -99.89 44.7 1.01 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.737 0.78 . . . . 0.0 109.327 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.4 t70 69.81 101.94 0.06 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.33 -174.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 67.4 m -81.83 129.31 34.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.256 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -65.08 152.23 91.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.011 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.96 100.07 0.08 OUTLIER 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.968 2.445 . . . . 0.0 112.8 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.0 ttp -92.29 102.3 14.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.629 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -96.41 165.61 12.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.066 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 mp -76.09 111.26 11.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.902 0.382 . . . . 0.0 110.314 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.8 p -159.32 163.72 35.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.083 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 p -71.9 136.84 47.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.787 0.327 . . . . 0.0 110.197 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 ptp -120.04 178.89 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.077 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.1 t -134.93 151.18 50.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.924 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.72 -68.52 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.172 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -140.28 34.78 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -86.73 95.63 9.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.205 -169.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -118.14 -21.62 8.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.832 0.348 . . . . 0.0 110.791 174.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.26 -57.92 4.22 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.818 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.2 m -85.9 -162.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.625 ' HB3' ' HE2' ' A' ' 25' ' ' PHE . 2.8 mp0 -57.46 132.2 52.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.407 176.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.07 117.42 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.824 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.3 t30 68.71 151.77 0.09 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.35 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.64 107.36 2.22 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.405 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.625 ' HE2' ' HB3' ' A' ' 21' ' ' GLU . 99.4 m-85 -74.43 -26.67 60.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.319 0.58 . . . . 0.0 109.86 175.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -94.05 140.04 30.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.472 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.58 16.54 35.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.171 -175.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.8 t -170.8 179.87 3.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -115.83 153.93 30.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.346 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 85.8 mmm -77.29 106.61 9.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.041 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -120.22 33.25 5.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.361 -175.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.08 127.4 31.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.832 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 19.5 tpp -63.14 -34.02 76.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.156 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -37.79 76.55 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -58.24 -59.56 5.13 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.882 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' O ' HG22 ' A' ' 40' ' ' VAL . 13.6 mm-40 -61.09 -29.52 69.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.583 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.489 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -63.29 -40.84 98.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.259 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -59.68 -45.38 92.25 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.038 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.42 85.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.815 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.495 HG13 HG13 ' A' ' 107' ' ' VAL . 54.7 t -58.45 -52.01 64.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.654 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 37' ' ' ALA . 94.5 t -57.54 -41.15 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.86 -175.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -81.15 -16.4 53.05 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -91.74 -48.01 7.04 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.513 -176.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 40' ' ' VAL . 32.6 m -94.23 5.74 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 62.8 tp -57.56 -29.23 64.24 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 111.8 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -71.76 -21.35 61.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.338 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.25 -5.68 58.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.917 0.389 . . . . 0.0 111.483 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.646 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.7 m -132.42 -170.8 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.165 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -89.43 -60.07 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.055 0.455 . . . . 0.0 109.861 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.69 156.54 48.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.94 -177.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.2 ttt -166.49 132.36 2.35 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -158.58 154.86 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.936 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.548 HG12 HG12 ' A' ' 66' ' ' ILE . 14.3 m -72.88 131.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.607 ' CB ' HD12 ' A' ' 57' ' ' LEU . 20.3 m -67.13 130.35 42.84 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.315 0.579 . . . . 0.0 111.215 -174.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -105.65 7.46 32.69 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.271 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.446 ' HB3' ' OD1' ' A' ' 93' ' ' ASP . 46.3 t -106.24 -0.81 24.19 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 173.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.607 HD12 ' CB ' ' A' ' 54' ' ' SER . 40.2 mt -114.22 -153.49 0.52 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.057 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.0 ptt-85 -131.9 147.94 52.5 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.997 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.5 m -153.81 151.75 29.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.039 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.84 -77.8 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.334 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' ' 33' ' ' MET . 18.1 p30 -148.98 -41.37 0.15 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.21 -175.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.16 -37.31 54.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.16 0.505 . . . . 0.0 111.299 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 p -131.04 147.57 33.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.032 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB2' ' HB3' ' A' ' 80' ' ' LEU . . . -142.63 108.66 5.2 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.033 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.481 ' HB3' HD11 ' A' ' 57' ' ' LEU . 42.1 m-85 -86.53 111.44 20.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.056 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.548 HG12 HG12 ' A' ' 53' ' ' VAL . 53.2 mt -117.09 133.39 63.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.037 -176.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -100.34 126.83 46.74 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.4 p -131.37 148.33 32.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.318 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.646 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 35.7 tt0 -134.1 115.39 14.22 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.6 p -64.61 169.43 4.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.74 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -69.89 -13.91 62.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.136 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -86.7 10.89 14.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.586 174.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 67.05 19.45 10.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.149 173.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -103.62 130.25 51.02 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.672 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -103.95 151.89 22.64 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.464 -172.438 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -137.54 144.97 42.37 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.655 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.6 m -101.54 120.15 39.86 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 169.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.498 ' CD2' HG13 ' A' ' 87' ' ' VAL . 60.9 mt -104.02 127.13 51.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.896 0.379 . . . . 0.0 111.034 -175.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -94.39 95.6 8.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 HD13 ' HG ' ' A' ' 85' ' ' LEU . 61.5 tp -85.53 118.41 25.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.594 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 p -137.27 -179.13 5.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.343 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -77.14 2.54 14.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.009 0.433 . . . . 0.0 110.382 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.85 0.09 35.01 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.27 -176.79 16.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.296 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.471 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.1 mp -99.87 111.13 23.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.755 0.312 . . . . 0.0 110.363 178.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.591 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 25.3 ttpp -114.64 128.57 56.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.113 178.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.498 HG13 ' CD2' ' A' ' 78' ' ' LEU . 17.7 m -75.02 136.41 25.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.823 0.344 . . . . 0.0 110.097 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 95' ' ' VAL . 15.9 m -119.32 -1.52 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.572 -177.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.89 157.82 27.3 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.193 -1.004 . . . . 0.0 112.579 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.19 22.73 12.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.751 0.786 . . . . 0.0 110.219 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.41 -168.46 1.91 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.068 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -92.81 126.0 37.69 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.446 ' OD1' ' HB3' ' A' ' 56' ' ' SER . 35.2 m-20 59.33 52.73 5.74 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.755 0.659 . . . . 0.0 110.97 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -124.23 123.37 40.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.609 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.472 HG22 HG22 ' A' ' 88' ' ' VAL . 93.3 t -128.95 108.71 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.043 0.449 . . . . 0.0 110.844 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.416 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 12.0 t70 -105.01 127.04 52.69 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.315 175.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -90.14 -11.58 40.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.114 0.483 . . . . 0.0 110.928 -174.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -78.73 -31.33 46.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.917 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.416 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 55.9 mt -53.94 120.86 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.863 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.2 86.75 2.41 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 173.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.8 p -107.46 149.26 38.6 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.463 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -65.62 114.05 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.124 1.883 . . . . 0.0 112.896 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.591 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 3.2 p90 -74.84 117.78 17.07 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.291 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -88.15 153.0 21.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.831 -172.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.52 ' HG2' HG23 ' A' ' 106' ' ' THR . 9.5 tt0 -49.75 -61.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 124.746 1.279 . . . . 0.0 111.702 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.52 HG23 ' HG2' ' A' ' 105' ' ' GLU . 5.2 p -130.62 166.2 21.17 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.827 -175.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.495 HG13 HG13 ' A' ' 40' ' ' VAL . 12.5 p -66.8 -27.97 41.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.008 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -66.56 -50.01 64.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.399 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 p -69.25 -36.28 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.45 -51.55 55.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.292 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.45 HD22 HG13 ' A' ' 48' ' ' VAL . 13.5 tp -65.0 -26.04 68.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 0.0 110.063 -176.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.76 -29.19 67.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.983 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.2 p -86.88 -11.43 50.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.355 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.9 mt -114.9 -26.51 7.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 117' ' ' ALA . 22.7 t -123.1 103.59 36.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.876 0.369 . . . . 0.0 110.483 -178.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.02 19.52 0.42 Allowed 'Trans proline' 0 N--CA 1.471 0.177 0 C-N-CA 123.415 2.743 . . . . 0.0 112.015 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 115' ' ' SER . . . -119.0 -0.14 11.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.793 172.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -65.04 -47.56 76.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.775 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.627 ' HD3' ' H ' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -62.83 -48.29 79.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.528 0.68 . . . . 0.0 109.713 -179.15 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -58.64 -47.26 85.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.964 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.17 94.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.405 ' O ' HD12 ' A' ' 126' ' ' LEU . 71.3 t80 -62.27 -47.22 85.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.281 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.47 -35.14 91.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.753 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -64.59 -39.3 93.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.497 0.189 . . . . 0.0 111.007 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.69 83.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.035 0.445 . . . . 0.0 110.788 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 122' ' ' PHE . 9.7 mp -64.94 -48.14 75.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.959 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 pp -74.14 -17.35 60.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 110.944 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -43.5 40.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.332 -0.395 . . . . 0.0 109.971 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.447 ' O ' ' HG ' ' A' ' 133' ' ' LEU . 3.2 ptm180 -70.63 -15.05 62.7 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.3 tp -65.53 -22.95 66.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.083 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -82.29 -35.03 28.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.149 0.5 . . . . 0.0 109.92 174.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.63 84.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.401 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 129' ' ' ARG . 97.6 mt -62.23 -41.47 98.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.805 177.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -61.73 -36.21 80.32 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.264 0.554 . . . . 0.0 110.584 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 135' ' ' ARG . 25.0 mtp180 -83.98 -5.65 59.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.367 -175.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -94.8 142.48 27.42 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.66 -65.65 3.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.44 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -143.25 100.06 3.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.119 0.485 . . . . 0.0 110.634 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.275 178.708 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.179 0.038 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.643 ' HG3' ' H ' ' A' ' 4' ' ' ASP . 10.5 tp10 67.64 151.9 0.08 Allowed 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.666 0.604 . . . . 0.0 111.25 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 t -119.91 5.84 10.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.643 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.643 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 21.0 t70 -115.8 147.37 41.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.137 -177.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.3 p -143.3 69.76 1.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.742 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.7 t30 67.79 96.3 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.324 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.494 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -76.04 -79.57 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.863 2.375 . . . . 0.0 113.835 -174.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -115.47 169.83 8.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 111.054 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -83.1 124.57 30.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.123 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.489 ' HG ' ' H ' ' A' ' 11' ' ' SER . 30.3 tp -73.0 173.24 9.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.853 178.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.489 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 5.7 m -62.07 -14.56 37.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.238 0.542 . . . . 0.0 111.434 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -145.04 151.95 39.35 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 172.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 65.9 mtt -70.09 109.65 4.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.701 0.286 . . . . 0.0 110.909 -174.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.3 m 67.78 18.76 9.72 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.294 -173.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.36 -176.5 51.95 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -174.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -79.65 96.17 6.13 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -51.11 -56.8 10.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.537 -175.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -169.01 148.49 4.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.7 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.77 34.51 5.08 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.939 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.1 m -68.91 -34.08 74.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.385 0.136 . . . . 0.0 110.829 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 54.6 40.59 31.96 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.652 0.595 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.9 mt -78.95 125.5 29.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.408 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -75.86 94.0 3.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.05 0.452 . . . . 0.0 110.163 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.38 91.42 2.13 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.909 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -86.34 106.48 17.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.883 0.373 . . . . 0.0 110.566 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -92.06 -65.99 0.96 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.925 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.09 -47.24 3.49 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.719 172.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 m -81.51 75.11 8.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.278 0.561 . . . . 0.0 111.584 -174.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -80.16 -51.83 8.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 171.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 57.7 ttp 58.38 89.44 0.05 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.877 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 20.2 tptm -130.39 139.42 50.63 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 174.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 12.0 m-20 -65.92 113.99 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.988 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.45 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 33.8 tpp -63.52 -32.23 73.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.283 0.563 . . . . 0.0 109.858 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -68.69 -30.42 69.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.814 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.497 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 16.9 tp -67.04 -57.47 6.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.615 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 40' ' ' VAL . 47.2 mm-40 -59.18 -31.92 69.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.17 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.483 ' HB2' HD11 ' A' ' 66' ' ' ILE . . . -62.66 -48.69 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.81 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.35 -37.48 87.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.4 84.93 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.348 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.483 HG11 HG13 ' A' ' 107' ' ' VAL . 52.8 t -59.54 -49.69 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.164 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 62.0 t -56.06 -47.45 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.284 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.418 HD21 ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -67.27 -36.84 82.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.818 0.342 . . . . 0.0 110.593 -178.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.61 -48.82 65.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.723 -173.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 40' ' ' VAL . 35.9 m -103.5 16.45 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 111.713 -175.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.1 tp -56.75 -35.83 69.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.591 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -76.56 -9.89 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.457 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.32 -14.64 37.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.815 0.34 . . . . 0.0 111.322 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.58 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.0 m -126.88 -172.58 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.326 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -84.27 -54.83 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.248 0.547 . . . . 0.0 109.851 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -141.81 150.42 41.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.757 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.421 ' HB3' HG13 ' A' ' 41' ' ' VAL . 10.2 ttt -156.58 132.78 9.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -153.38 146.63 24.75 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 -177.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 m -68.51 -173.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.404 0.145 . . . . 0.0 111.173 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.851 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.2 m -51.1 111.22 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.234 0.54 . . . . 0.0 111.97 -175.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -82.25 -22.09 35.97 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.037 175.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.45 2.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.776 -173.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.851 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 3.3 mm? -98.87 -154.78 0.47 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.606 0.717 . . . . 0.0 109.55 -174.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 5.8 ptp180 -120.99 144.74 48.35 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.636 -1.165 . . . . 0.0 108.479 175.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 10.7 p -163.65 124.92 2.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.23 0.538 . . . . 0.0 110.781 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -163.09 -61.45 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.798 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 33' ' ' MET . 12.1 t70 -122.42 -69.54 0.82 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.595 -161.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.46 -20.46 15.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.654 -174.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 9.9 p -136.81 146.6 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.26 -174.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.469 ' HA ' ' HB3' ' A' ' 59' ' ' CYS . . . -158.77 115.9 2.79 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.116 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.538 ' CG ' ' HG ' ' A' ' 57' ' ' LEU . 66.9 m-85 -85.69 146.83 26.64 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.153 177.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.483 HD11 ' HB2' ' A' ' 37' ' ' ALA . 55.3 mt -133.1 127.32 54.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.12 0.486 . . . . 0.0 110.307 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.478 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 14.7 m120 -91.03 110.6 21.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.153 177.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.5 p -116.03 138.91 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.227 0.537 . . . . 0.0 111.397 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.58 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.0 tt0 -123.89 105.18 9.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.493 176.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.424 ' HA ' HG13 ' A' ' 48' ' ' VAL . 76.7 p -64.53 165.55 9.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.413 -176.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 68.3 mttm -65.05 -25.93 68.03 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.035 0.445 . . . . 0.0 110.481 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.1 mp0 -73.59 2.12 8.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.673 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 73.84 2.14 4.13 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.626 0.77 . . . . 0.0 110.944 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -76.37 135.1 39.51 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -113.28 128.83 56.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.124 -172.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -119.7 143.83 47.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.189 0.518 . . . . 0.0 111.202 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 37.1 t -104.52 108.41 19.83 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 171.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 88.1 mt -103.44 131.84 50.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.133 0.492 . . . . 0.0 111.574 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -99.33 100.73 11.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.012 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.524 HD13 ' HG ' ' A' ' 85' ' ' LEU . 52.4 tp -86.98 115.47 24.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.063 0.459 . . . . 0.0 110.188 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.0 p -123.34 -179.58 4.37 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.537 -0.756 . . . . 0.0 108.998 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -70.62 -15.29 62.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.429 0.633 . . . . 0.0 109.466 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.43 -21.25 39.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.768 176.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.76 -168.77 24.12 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.754 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.524 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.2 mp -96.85 121.52 38.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -113.05 141.72 46.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.265 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.5 t -86.33 111.98 22.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.6 m -108.61 -1.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.15 155.63 19.62 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.814 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -102.56 23.02 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 110.658 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -150.84 165.47 33.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.592 177.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 24.4 m-85 -70.21 134.01 47.64 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.964 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 65.98 27.68 10.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.323 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -111.88 113.01 25.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.8 t -117.57 99.84 8.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.364 174.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -97.82 127.35 43.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.282 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -85.4 5.44 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.776 -174.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -93.22 -25.22 17.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.0 mt -69.12 125.57 27.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.123 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -114.71 26.95 9.79 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 174.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.19 125.48 50.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.977 -177.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.27 134.81 54.28 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 123.033 2.489 . . . . 0.0 112.804 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -89.88 159.5 16.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.81 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -123.78 142.67 50.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -62.74 -52.69 62.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.727 0.298 . . . . 0.0 111.598 -174.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 56.2 p -106.82 151.65 24.92 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.905 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.483 HG13 HG11 ' A' ' 40' ' ' VAL . 9.6 p -63.82 -28.19 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 177.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -63.67 -54.29 37.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.9 m -72.28 -2.67 19.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.529 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 53.8 tp -97.11 -59.19 1.84 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.956 0.407 . . . . 0.0 110.976 174.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.533 HD21 ' CD1' ' A' ' 118' ' ' TYR . 10.8 tp -73.21 -19.46 61.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.549 -170.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.42 ' OD1' ' HB3' ' A' ' 119' ' ' ARG . 31.9 t70 -82.59 -20.32 36.7 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.895 1.331 . . . . 0.0 107.558 -175.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.1 m -88.52 -16.07 33.61 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 112.734 -2.03 . . . . 0.0 110.003 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 93.0 mt -100.59 -59.88 1.62 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.26 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 65.2 m -102.31 127.03 31.56 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 112.074 -173.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -66.09 -32.86 42.68 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.656 2.237 . . . . 0.0 111.45 172.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.5 -20.56 63.71 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.159 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.533 ' CD1' HD21 ' A' ' 111' ' ' LEU . 66.8 t80 -58.95 -62.59 1.77 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.462 177.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.431 ' HA ' ' HB3' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -67.43 -21.46 65.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -177.001 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.86 -51.35 65.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.758 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.74 -30.81 46.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.946 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.431 ' HB3' ' HA ' ' A' ' 119' ' ' ARG . 57.0 t80 -60.85 -37.99 84.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.593 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.64 -32.96 85.23 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.166 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.527 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 26.3 t-20 -65.69 -39.78 91.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.119 0.485 . . . . 0.0 110.159 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.06 -33.42 74.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.672 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.52 -43.31 77.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.603 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 124' ' ' ASN . 4.6 pp -67.64 -33.69 75.47 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.112 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.408 ' N ' HD11 ' A' ' 127' ' ' LEU . 53.2 tt0 -69.67 -40.58 76.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.141 0.496 . . . . 0.0 109.695 176.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 24.7 tpt85 -58.06 -40.86 82.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.555 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.17 -49.79 22.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.467 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -62.0 -34.0 75.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.34 -175.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.92 -40.69 85.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.9 mp -80.4 -34.16 36.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -60.65 -41.46 95.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.435 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -88.6 -49.73 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.076 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.2 t70 69.71 -66.01 0.28 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.647 0.779 . . . . 0.0 110.861 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -156.49 -99.67 0.16 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -138.45 94.71 2.88 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.626 -177.517 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.876 0.37 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -141.2 142.89 33.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.141 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.5 m -135.0 167.67 20.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.59 -46.74 89.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.812 0.339 . . . . 0.0 110.649 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.1 p -71.39 121.37 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -98.69 110.75 58.32 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -56.93 140.02 91.02 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.829 2.352 . . . . 0.0 112.336 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.4 ttm -76.61 94.04 3.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.249 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -49.18 3.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.148 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' HB3' ' H ' ' A' ' 11' ' ' SER . 4.5 mm? 57.77 -136.83 0.96 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.485 ' H ' ' HB3' ' A' ' 10' ' ' LEU . 33.3 m -154.18 -167.02 2.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 t -65.03 -20.87 66.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.834 0.35 . . . . 0.0 110.78 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.8 ttm -60.1 98.06 0.05 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.631 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 p -168.56 134.83 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.905 0.383 . . . . 0.0 110.961 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -120.25 32.72 4.79 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 175.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 92.9 m-85 66.87 -77.74 0.04 OUTLIER 'General case' 0 C--O 1.232 0.175 0 C-N-CA 123.407 0.683 . . . . 0.0 110.466 -174.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 13.2 pt-20 166.96 -38.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.177 0.991 . . . . 0.0 109.042 175.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -157.84 114.47 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.545 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.02 179.35 21.38 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.503 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 m -119.0 -54.87 2.21 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 59.25 19.32 7.42 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.699 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.16 105.44 17.66 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -93.38 118.81 31.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.349 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.19 3.57 0.75 Allowed Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.985 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.501 ' HE1' ' HE3' ' A' ' 31' ' ' LYS . 66.6 t80 -119.31 -22.24 7.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.765 0.317 . . . . 0.0 110.437 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 71.13 4.17 4.96 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.756 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.2 -42.44 3.15 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 121.194 -0.527 . . . . 0.0 113.077 175.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 m -72.2 117.89 14.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.789 0.328 . . . . 0.0 111.439 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -90.8 93.01 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -131.46 18.66 4.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.368 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HE3' ' HE1' ' A' ' 25' ' ' PHE . 18.9 pttp -81.03 115.53 20.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.084 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 45.6 t0 -88.66 117.7 27.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 173.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.498 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 28.6 tpp -69.65 -23.38 63.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.366 0.603 . . . . 0.0 110.278 -177.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -69.97 -30.96 68.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.863 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 16.5 tp -66.81 -53.48 32.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.2 175.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.41 -29.05 65.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.369 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' O ' HG21 ' A' ' 41' ' ' VAL . . . -65.65 -47.79 74.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.352 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.14 -36.73 66.1 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.97 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.43 -53.26 20.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.446 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.473 HG11 HG12 ' A' ' 107' ' ' VAL . 86.4 t -60.64 -43.31 94.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.511 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 46.6 t -53.39 -46.32 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.939 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -91.67 -1.66 57.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 111.163 -174.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -88.37 -41.7 12.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.204 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.54 14.07 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 6.8 tt -57.82 -37.76 74.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.706 -174.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -73.66 -0.27 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.82 -19.13 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.079 0.466 . . . . 0.0 110.253 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 30.3 m -124.81 -167.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.631 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -80.86 -55.25 4.93 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.522 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -163.24 154.7 17.25 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.781 0.324 . . . . 0.0 111.184 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.507 ' HB2' HG13 ' A' ' 41' ' ' VAL . 88.5 mtp -134.96 142.05 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -154.49 138.26 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -178.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.17 138.33 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.828 0.347 . . . . 0.0 111.101 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.1 m -72.71 112.31 8.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.036 0.446 . . . . 0.0 110.31 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.55 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 1.7 tmtp? -86.55 -12.99 47.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 -174.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -89.98 3.34 53.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.074 0.464 . . . . 0.0 110.819 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.568 HD22 ' CG2' ' A' ' 95' ' ' VAL . 5.9 mp -120.7 -100.37 0.43 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.862 -175.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -166.65 158.16 12.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 0.0 110.974 -171.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.5 p -159.2 73.76 0.61 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.6 172.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.2 -54.18 5.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.93 -170.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.08 -76.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.499 -175.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.573 ' OD1' ' HB2' ' A' ' 82' ' ' GLU . 20.0 t70 -94.56 -15.78 23.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.863 0.363 . . . . 0.0 111.391 -176.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.0 p -105.36 128.81 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.175 0.512 . . . . 0.0 111.253 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.91 124.16 11.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.685 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.438 ' CG ' HD21 ' A' ' 57' ' ' LEU . 90.3 m-85 -93.15 129.92 38.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.882 0.372 . . . . 0.0 110.39 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 57.5 mt -119.45 129.83 74.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.961 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -88.34 129.15 35.47 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.128 173.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.6 p -128.41 119.97 51.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.282 0.563 . . . . 0.0 109.986 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.464 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 31.7 tt0 -102.92 111.47 23.82 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.558 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 p -70.7 178.85 2.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.566 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.529 ' HZ3' ' HB3' ' A' ' 121' ' ' ALA . 91.4 mttt -65.01 -11.43 38.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.941 0.4 . . . . 0.0 110.675 176.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.75 -16.4 61.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.393 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? 70.69 16.41 6.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.459 -174.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -98.25 135.26 40.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 2.8 mpt_? -97.37 141.86 29.95 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -127.28 142.09 51.55 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 95.1 m -103.85 120.04 40.18 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.118 0.485 . . . . 0.0 110.637 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.1 mt -108.1 131.72 54.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.604 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -93.78 97.82 10.68 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.556 HD13 ' HG ' ' A' ' 85' ' ' LEU . 55.4 tp -84.19 121.43 27.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.937 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 19.4 p -142.93 178.51 7.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.324 -178.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . 35.8 tt0 -56.13 -33.0 64.76 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.371 176.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.61 -7.28 58.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.675 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.79 -160.9 15.06 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.533 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.556 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.4 mp -101.41 127.54 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.695 0.283 . . . . 0.0 110.672 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -116.99 146.78 42.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.16 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.507 ' HB ' HG21 ' A' ' 101' ' ' THR . 56.6 t -90.74 115.14 29.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.522 ' HB ' HG13 ' A' ' 95' ' ' VAL . 21.5 m -117.35 8.79 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -175.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.11 160.66 14.7 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.512 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -125.53 62.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.47 0.653 . . . . 0.0 111.596 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 94' ' ' GLN . . . -159.2 -169.37 2.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.998 172.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -96.49 107.15 19.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 66.73 44.5 2.15 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.725 0.641 . . . . 0.0 110.865 -176.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.529 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 24.3 tt0 -129.26 133.76 47.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.881 178.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.568 ' CG2' HD22 ' A' ' 57' ' ' LEU . 94.8 t -124.92 102.79 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.226 0.536 . . . . 0.0 110.682 -177.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.498 ' HB2' HD13 ' A' ' 99' ' ' LEU . 15.0 m-20 -82.41 158.83 23.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.041 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -101.99 -31.87 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -171.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -82.02 -3.6 54.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -170.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.498 HD13 ' HB2' ' A' ' 96' ' ' ASP . 8.1 mp -78.39 101.94 7.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.164 0.507 . . . . 0.0 110.515 176.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -104.4 87.34 2.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.556 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.507 HG21 ' HB ' ' A' ' 87' ' ' VAL . 3.9 t -127.09 141.23 40.08 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.57 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.74 169.26 19.29 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.509 2.14 . . . . 0.0 111.806 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.44 152.5 19.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -112.03 141.45 45.69 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -62.82 -61.76 2.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.42 0.45 . . . . 0.0 111.686 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.4 p -100.36 141.45 33.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.011 0.434 . . . . 0.0 111.539 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.473 HG12 HG11 ' A' ' 40' ' ' VAL . 11.2 p -63.45 -25.31 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.502 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -62.49 -54.58 37.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.074 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.2 m -61.74 -38.41 87.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.463 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 51.0 tp -63.76 -56.55 14.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.694 -177.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.445 HD23 HG12 ' A' ' 48' ' ' VAL . 36.0 tp -68.74 -25.43 64.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 111.209 -174.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -81.59 -30.64 32.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.508 1.147 . . . . 0.0 108.154 -175.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.1 m -66.07 -28.47 68.86 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 113.191 -1.822 . . . . 0.0 110.468 170.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 87.4 mt -85.76 -63.09 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.669 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.7 p -113.32 109.6 51.37 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.361 -175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.15 -15.1 37.51 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 123.037 2.491 . . . . 0.0 112.138 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.0 -12.24 47.99 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.76 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -55.65 -49.22 73.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.621 176.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -63.4 -40.8 98.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.231 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -69.09 -40.31 78.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.962 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.529 ' HB3' ' HZ3' ' A' ' 71' ' ' LYS . . . -71.75 -46.98 56.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -63.28 -37.72 88.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.698 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.84 -47.76 88.15 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.965 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.495 ' O ' ' HB3' ' A' ' 127' ' ' LEU . 4.7 m-20 -68.47 -24.99 64.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -176.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.28 -46.54 32.92 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -74.29 -11.39 60.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.466 0.65 . . . . 0.0 109.707 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.495 ' HB3' ' O ' ' A' ' 124' ' ' ASN . 2.4 tm? -69.26 -50.96 42.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.829 175.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -17.93 56.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.037 0.446 . . . . 0.0 110.824 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -70.28 -24.82 63.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.416 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.607 ' HG ' ' HE2' ' A' ' 134' ' ' LYS . 56.2 tp -64.13 -37.94 89.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.208 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -69.43 -28.25 65.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.982 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.37 99.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.94 -20.35 52.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.385 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.607 ' HE2' ' HG ' ' A' ' 130' ' ' LEU . 68.5 mttm -77.84 -51.18 10.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.414 0.626 . . . . 0.0 110.293 176.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -69.93 -39.91 75.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.503 -176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -92.94 13.03 21.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.178 0.513 . . . . 0.0 110.758 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -93.39 44.54 2.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.133 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.86 126.56 38.0 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.442 -0.79 . . . . 0.0 110.064 -179.834 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.83 -41.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.095 -174.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.8 m 65.11 92.92 0.07 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.966 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -112.88 -178.15 3.31 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.4 t -121.05 -16.23 8.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.911 0.386 . . . . 0.0 110.512 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.459 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 28.6 t-20 -139.26 117.84 8.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.386 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 6' ' ' ASN . 7.2 Cg_endo -87.62 30.28 0.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 123.425 2.75 . . . . 0.0 113.913 -172.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -151.07 177.7 9.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.988 0.423 . . . . 0.0 111.069 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' A' ' 11' ' ' SER . 37.6 tt0 -132.72 160.01 38.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.502 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -71.35 26.49 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 9' ' ' GLU . 35.3 m -73.88 97.28 2.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.952 0.406 . . . . 0.0 110.639 178.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.0 m 64.6 -88.85 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.257 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 57.3 ttp -169.81 -70.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.071 0.462 . . . . 0.0 110.483 -178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.3 p -125.84 170.73 11.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.62 -14.29 57.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.307 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -138.31 31.86 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.651 0.738 . . . . 0.0 109.536 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -6.08 22.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.416 -177.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 62.42 91.2 0.07 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.762 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.32 165.8 34.39 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.538 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -102.7 9.34 39.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.398 0.618 . . . . 0.0 110.183 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -79.06 41.95 0.46 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.827 -177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.1 mt -99.09 -31.97 11.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.95 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -115.73 119.01 34.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.964 0.411 . . . . 0.0 110.928 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.07 27.39 2.9 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 175.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -156.44 115.81 3.49 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -94.42 145.36 24.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.066 0.46 . . . . 0.0 111.202 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.51 90.2 0.13 Allowed Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -77.86 130.55 36.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.534 0.683 . . . . 0.0 111.109 -177.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -137.31 62.74 1.58 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.77 0.795 . . . . 0.0 109.034 175.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.3 tpt -96.69 124.55 40.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.366 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -66.63 146.98 53.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.965 0.412 . . . . 0.0 110.43 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.585 ' OD1' ' HB2' ' A' ' 34' ' ' ARG . 14.6 t70 -102.52 110.19 22.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.627 -178.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.0 tpp -66.79 -19.83 65.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.775 -173.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 48.6 mtt180 -60.64 -35.94 77.43 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.658 0.266 . . . . 0.0 111.046 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.25 -53.81 22.04 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.436 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -61.91 -24.03 66.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.096 176.008 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -72.81 -49.86 27.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.254 177.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.56 -40.89 93.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.183 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.5 -46.47 76.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.971 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 36' ' ' GLU . 68.3 t -65.08 -46.76 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 78.8 t -54.66 -42.78 62.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.622 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -80.4 -33.67 36.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.343 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.94 -54.48 29.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.743 -173.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.54 17.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.897 0.379 . . . . 0.0 111.356 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 50.0 tp -55.88 -40.47 73.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.843 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.452 ' CD2' ' HB2' ' A' ' 121' ' ' ALA . 51.7 p90 -77.07 -3.42 39.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.756 -174.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.06 -19.73 29.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.025 0.44 . . . . 0.0 110.306 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.3 m -126.98 -168.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.222 -176.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.99 -56.99 3.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.106 0.479 . . . . 0.0 110.387 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -155.64 144.35 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.713 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.489 ' HB2' HG12 ' A' ' 41' ' ' VAL . 85.1 mtp -127.18 147.43 50.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.415 175.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -149.04 177.55 9.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -176.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -114.54 131.56 66.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.453 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 17.2 m -69.99 107.04 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.533 0.683 . . . . 0.0 111.012 -175.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -98.82 16.35 22.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.582 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -102.85 1.0 33.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -130.53 -148.38 0.36 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.793 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -116.99 136.82 52.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.962 0.411 . . . . 0.0 110.665 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' HA ' ' A' ' 64' ' ' ALA . 3.5 p -155.8 117.15 3.92 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.96 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.92 -60.5 0.16 Allowed 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.689 0.757 . . . . 0.0 111.712 -177.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -121.69 -67.3 0.97 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.392 -162.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -98.54 -19.68 17.48 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.871 0.367 . . . . 0.0 111.058 -173.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.3 p -139.0 140.2 38.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.121 -174.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.524 ' HA ' ' HB3' ' A' ' 59' ' ' CYS . . . -142.91 120.05 11.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.891 172.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.453 ' HB2' ' HB2' ' A' ' 54' ' ' SER . 96.8 m-85 -86.53 126.89 34.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.08 132.14 69.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.205 0.526 . . . . 0.0 110.846 -176.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -87.98 125.67 34.66 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.173 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.495 HG13 ' HB2' ' A' ' 76' ' ' TYR . 4.9 p -131.63 115.18 27.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.361 0.601 . . . . 0.0 110.926 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.64 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 34.9 tt0 -101.58 106.27 17.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.654 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.477 ' HA ' HG13 ' A' ' 48' ' ' VAL . 72.4 p -69.7 176.87 3.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.386 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -74.54 3.75 7.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.086 0.47 . . . . 0.0 111.129 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -89.73 -6.19 56.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.49 ' HD3' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER 72.35 13.19 5.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.656 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.418 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 58.7 t30 -92.64 131.91 37.34 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.418 ' NH1' ' HA ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -97.55 122.41 40.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.295 -173.638 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.495 ' HB2' HG13 ' A' ' 68' ' ' VAL . 85.2 m-85 -107.72 150.24 27.18 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.905 0.383 . . . . 0.0 110.604 176.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.4 m -108.66 115.42 30.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.654 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.6 mt -102.34 131.01 49.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.925 0.393 . . . . 0.0 111.154 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -93.73 99.21 11.65 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.7 tp -89.02 115.96 26.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.182 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.9 p -132.54 -170.43 2.43 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.004 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -78.92 -2.85 41.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.267 0.556 . . . . 0.0 110.47 174.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.24 -6.73 40.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.152 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.14 -156.8 15.42 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.413 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.37 135.21 47.16 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.686 ' HD2' ' HE1' ' A' ' 103' ' ' TYR . 39.6 tttt -140.38 115.91 10.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.094 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.14 118.83 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.323 0.583 . . . . 0.0 110.649 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.577 HG12 ' HE2' ' A' ' 86' ' ' LYS . 17.9 m -113.71 7.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.628 -175.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -174.58 156.13 22.43 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.858 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -124.28 40.37 3.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.91 0.862 . . . . 0.0 110.13 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.533 ' HB1' ' HB3' ' A' ' 94' ' ' GLN . . . -139.96 -175.58 4.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.468 172.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -95.9 110.89 23.01 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.41 54.83 1.46 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.747 0.655 . . . . 0.0 110.61 -176.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.533 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 24.4 tt0 -142.99 103.47 4.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.231 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.518 HG11 ' HB ' ' A' ' 88' ' ' VAL . 77.8 t -99.61 117.95 45.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.824 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.489 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 30.5 t70 -112.33 144.53 41.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.21 -172.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -70.16 -21.01 63.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.189 -177.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -83.7 -8.18 59.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.129 -0.357 . . . . 0.0 111.136 -173.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 96' ' ' ASP . 4.6 mp -95.17 90.7 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.353 0.597 . . . . 0.0 111.662 177.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -112.85 75.86 0.94 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.928 0.871 . . . . 0.0 109.097 171.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.7 p -89.72 160.69 40.83 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 114.543 -1.208 . . . . 0.0 112.469 -171.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.38 124.28 13.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.703 2.268 . . . . 0.0 112.263 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.686 ' HE1' ' HD2' ' A' ' 86' ' ' LYS . 5.2 m-85 -72.23 130.31 40.5 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.848 -178.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.44 144.57 44.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -74.62 -44.44 50.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.122 0.487 . . . . 0.0 111.513 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.1 p -107.04 138.71 42.69 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.336 -174.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.69 -26.06 38.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.144 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -59.8 -58.03 10.31 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.319 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.2 m -74.32 -3.9 33.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.568 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.408 ' O ' ' HB ' ' A' ' 113' ' ' THR . 47.0 tp -95.96 -53.65 3.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.919 0.39 . . . . 0.0 110.786 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.438 HD22 HG12 ' A' ' 48' ' ' VAL . 38.2 tp -69.99 -21.02 63.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.983 -175.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.46 -23.83 50.37 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.498 1.142 . . . . 0.0 108.277 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 1.3 m -79.82 -27.78 40.21 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 113.294 -1.775 . . . . 0.0 110.654 173.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.9 mt -83.79 -53.24 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 -176.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.2 t -122.77 116.78 28.96 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 120.765 0.317 . . . . 0.0 110.577 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.21 -21.49 60.12 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 123.139 2.559 . . . . 0.0 112.395 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.86 -11.01 60.06 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.957 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -57.7 -42.07 82.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.559 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -65.07 -32.34 74.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.162 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.62 -43.88 79.35 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.452 ' HB2' ' CD2' ' A' ' 46' ' ' PHE . . . -64.18 -36.45 84.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.525 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -62.89 -48.27 79.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.34 177.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.35 -34.13 89.12 Favored Glycine 0 C--O 1.226 -0.364 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.052 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' A' ' 127' ' ' LEU . 23.2 t-20 -61.39 -37.78 84.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.031 0.443 . . . . 0.0 110.854 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.45 -43.03 51.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.42 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -65.27 -27.24 68.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.49 0.662 . . . . 0.0 109.851 175.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 124' ' ' ASN . 3.0 tm? -66.36 -52.47 46.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.504 173.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -38.79 80.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.259 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -66.45 -20.42 66.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.049 -177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.8 tp -66.37 -53.01 40.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.158 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -79.34 -20.09 48.68 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.961 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.47 80.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.155 0.502 . . . . 0.0 109.932 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.44 -22.12 63.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.419 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -86.05 -17.39 35.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.425 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 135' ' ' ARG . 1.1 mpt_? -96.44 -57.93 2.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.582 -174.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.74 106.1 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.304 -172.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 116.81 -50.55 0.78 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.367 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -75.26 -36.19 61.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.693 0.282 . . . . 0.0 110.853 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.013 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.02 116.34 16.97 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.362 0.601 . . . . 0.0 111.141 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 t -140.88 15.4 2.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.181 175.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 60.86 64.72 1.11 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.005 -177.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 81.2 m 65.4 -83.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.049 -176.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 4.2 p-10 -167.13 120.8 0.8 Allowed Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.446 ' HB2' ' H ' ' A' ' 8' ' ' MET . 7.7 Cg_exo -73.59 -87.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.67 2.247 . . . . 0.0 112.041 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.446 ' H ' ' HB2' ' A' ' 7' ' ' PRO . 4.1 mmm 176.86 122.79 0.03 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.255 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 27.0 mp0 -67.52 114.18 5.96 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 173.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 9' ' ' GLU . 59.0 tp 69.28 96.15 0.07 Allowed 'General case' 0 N--CA 1.463 0.221 0 O-C-N 124.042 0.839 . . . . 0.0 110.144 -172.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.8 m -72.59 88.87 1.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.293 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 p -93.43 168.14 11.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.724 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.1 mmt -78.33 146.59 34.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.438 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.8 p -94.82 -1.69 52.3 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.21 48.38 1.58 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.323 -0.941 . . . . 0.0 113.191 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -69.67 -41.79 75.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.09 0.472 . . . . 0.0 110.327 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -98.87 19.49 14.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -65.62 -44.16 87.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.035 0.445 . . . . 0.0 110.01 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.97 135.7 3.42 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.854 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -92.77 -59.56 2.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.761 0.315 . . . . 0.0 110.633 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -134.74 140.7 46.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.1 tp -99.66 83.84 2.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.064 0.459 . . . . 0.0 109.776 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -138.47 115.43 10.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.504 -176.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.31 112.84 4.04 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 174.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -62.96 -42.12 99.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.786 0.327 . . . . 0.0 110.619 -173.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -101.56 14.08 33.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.469 0.652 . . . . 0.0 109.661 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.82 -58.21 0.52 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.79 -177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 m -148.85 87.59 1.56 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.421 0.629 . . . . 0.0 109.606 176.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.64 -11.13 59.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.945 -173.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -139.97 122.73 16.43 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -119.11 158.43 25.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.961 0.41 . . . . 0.0 110.774 -169.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 11.5 t0 -84.44 98.47 10.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.185 -178.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.43 ' HE1' ' HB2' ' A' ' 33' ' ' MET . 0.0 OUTLIER -75.51 -15.15 60.43 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.505 -175.699 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -60.36 -43.4 96.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.832 0.349 . . . . 0.0 110.227 179.592 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 4.9 mt -77.85 -38.86 45.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.511 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 5.9 mm-40 -57.59 -29.28 64.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 41' ' ' VAL . . . -73.92 -49.99 22.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.249 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 36.4 mt-10 -62.25 -33.95 75.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.972 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.99 73.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.758 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.04 -47.56 93.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 95.5 t -57.61 -49.51 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.603 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.63 -10.29 59.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -172.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -81.46 -44.88 16.82 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.245 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.1 m -112.63 15.11 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.563 -176.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 6.1 tt -58.21 -34.61 70.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.397 -176.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -75.62 -12.23 60.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.736 0.303 . . . . 0.0 111.452 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.438 ' HA ' ' CB ' ' A' ' 121' ' ' ALA . . . -82.49 -15.81 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.056 0.455 . . . . 0.0 110.782 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.572 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 23.4 m -117.64 -168.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.014 177.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -88.87 -51.05 5.84 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.371 0.605 . . . . 0.0 109.52 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -141.68 155.23 45.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.036 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.41 ' HB3' ' HG ' ' A' ' 45' ' ' LEU . 18.3 ttt -163.87 129.41 2.99 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -161.19 161.08 30.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.744 0.306 . . . . 0.0 110.664 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.5 p -68.49 134.92 29.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 172.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.508 ' CB ' HD21 ' A' ' 57' ' ' LEU . 4.4 m -55.19 -55.44 31.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.66 -174.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 70.62 10.12 7.04 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.681 0.753 . . . . 0.0 110.493 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -118.81 17.39 13.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.934 0.873 . . . . 0.0 109.571 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.588 ' HG ' ' CB ' ' A' ' 65' ' ' TYR . 4.4 mm? -118.64 -148.51 0.42 Allowed 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.547 -177.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.458 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -130.73 96.03 3.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.537 0.684 . . . . 0.0 109.882 175.245 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.4 p -88.27 90.51 8.42 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.134 175.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.37 -76.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.2 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.456 ' HA ' ' NH1' ' A' ' 34' ' ' ARG . 17.9 m-20 -155.41 -57.8 0.1 Allowed 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -176.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -105.03 20.51 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.554 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.6 p -143.18 137.85 26.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.342 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.37 132.16 13.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.946 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.588 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 92.5 m-85 -92.64 133.55 35.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.163 0.506 . . . . 0.0 110.915 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 72.9 mt -125.82 136.63 60.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.106 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 92' ' ' PHE . 7.8 m120 -108.82 130.66 55.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.28 0.562 . . . . 0.0 110.801 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.48 138.41 51.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.549 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.572 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 35.2 tt0 -117.1 108.61 15.93 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.364 177.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.0 p -67.47 167.73 12.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HD2' ' HB3' ' A' ' 117' ' ' ALA . 68.7 mttm -70.05 -4.73 22.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.412 0.625 . . . . 0.0 110.455 177.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 42.6 tt0 -91.22 3.06 55.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.405 177.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 72' ' ' GLU . 80.1 mtt180 70.99 -1.55 2.64 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.459 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -84.12 129.61 34.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -105.26 148.51 26.91 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.892 -172.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 72.1 m-85 -130.64 150.47 51.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.33 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 34.6 t -114.19 117.23 30.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.487 HD22 HD22 ' A' ' 110' ' ' LEU . 80.6 mt -116.14 131.23 57.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 0.0 111.644 -172.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.43 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 36.2 tt0 -94.27 111.73 23.49 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.467 175.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -88.18 119.72 28.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.5 p -139.58 178.89 6.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.364 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.93 -36.67 84.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 109.831 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.11 -22.63 65.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.828 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.38 -149.75 20.05 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.872 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.75 122.58 48.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.822 0.344 . . . . 0.0 110.199 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 80.5 tttt -111.68 126.43 55.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.678 -175.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.85 106.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.8 m -101.93 0.57 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.151 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 163.21 -178.07 38.98 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.001 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -131.18 40.77 3.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.509 0.671 . . . . 0.0 110.808 -179.763 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -152.36 170.3 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.403 175.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 24.0 m-85 -68.73 146.57 52.83 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 49.66 24.88 1.3 Allowed 'General case' 0 N--CA 1.474 0.767 0 O-C-N 124.05 0.844 . . . . 0.0 112.649 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -103.65 112.12 24.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.055 0.455 . . . . 0.0 110.686 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.3 t -127.3 102.43 9.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.437 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.68 ' OD2' ' HB2' ' A' ' 98' ' ' HIS . 38.7 t70 -123.79 122.06 37.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -177.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.75 16.8 8.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.493 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.68 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 63.2 m80 -78.89 -28.24 44.05 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 169.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.5 mp -69.76 118.38 12.55 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.232 169.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -90.88 29.06 1.41 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.342 0.592 . . . . 0.0 109.903 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.47 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.6 OUTLIER -71.36 117.5 57.52 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.791 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 7.2 Cg_exo -72.79 160.32 46.46 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.786 2.324 . . . . 0.0 112.029 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.49 144.89 31.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.259 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -99.43 157.99 16.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.78 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.21 -67.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 123.647 0.592 . . . . 0.0 111.59 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.2 p -112.73 167.47 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -70.92 -23.87 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.097 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.44 ' HD1' ' HH ' ' A' ' 118' ' ' TYR . 69.7 m-85 -69.62 -51.94 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.148 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.5 m -69.41 -9.1 52.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.151 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.487 HD22 HD22 ' A' ' 78' ' ' LEU . 62.2 tp -95.71 -57.32 2.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.201 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 118' ' ' TYR . 17.0 tp -62.5 -22.64 66.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 0.0 110.075 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -54.45 -41.26 69.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.244 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 110' ' ' LEU . 12.1 t -94.91 -5.06 45.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.846 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 86.8 mt -90.78 -36.79 14.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.336 . . . . 0.0 111.472 -176.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.7 t -148.7 128.37 6.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.905 0.383 . . . . 0.0 111.043 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.34 -18.57 44.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 111.495 175.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.52 ' HB3' ' HD2' ' A' ' 71' ' ' LYS . . . -71.81 -21.84 61.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.821 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.44 ' HH ' ' HD1' ' A' ' 108' ' ' TYR . 48.0 t80 -61.7 -38.82 89.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.394 0.616 . . . . 0.0 109.805 175.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -68.45 -24.52 64.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.424 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -76.55 -55.81 5.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.135 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 47' ' ' ALA . . . -62.04 -35.74 79.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.429 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -61.6 -49.55 76.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.401 . . . . 0.0 110.377 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -66.2 -29.51 75.07 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.181 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.461 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 2.9 t-20 -63.65 -40.25 96.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.767 0.318 . . . . 0.0 110.468 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 129' ' ' ARG . . . -61.07 -36.31 79.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.98 -48.98 74.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.311 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 124' ' ' ASN . 4.6 pp -71.03 -25.91 62.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 111.179 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -69.79 -48.28 59.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.677 177.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 38.8 mtm180 -69.89 -15.86 63.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.976 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.03 -28.23 69.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.706 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.47 -17.83 61.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.322 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.11 66.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.214 0.531 . . . . 0.0 110.263 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.99 -12.31 53.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.495 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -94.0 -40.43 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.467 0.651 . . . . 0.0 109.956 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -91.09 16.81 8.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.877 -177.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -63.13 -33.53 75.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.274 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -103.03 -77.63 1.23 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -152.63 155.36 37.17 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.732 -0.651 . . . . 0.0 109.731 -178.002 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 61.64 88.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.806 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.3 m -147.47 148.07 30.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.495 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -83.14 -34.37 26.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -173.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 p -81.55 99.0 8.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.177 0.513 . . . . 0.0 110.841 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -119.55 110.88 36.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.871 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.45 124.16 12.48 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.73 2.287 . . . . 0.0 111.163 175.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.0 mtt -95.6 131.14 42.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.062 0.458 . . . . 0.0 111.104 -175.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -105.9 119.3 38.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.989 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.787 ' HB2' ' HB3' ' A' ' 13' ' ' MET . 2.6 pp -141.04 144.27 34.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p -104.06 -74.51 0.64 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 177.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.5 m -90.1 3.61 52.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.276 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.787 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 28.1 ttt -81.86 79.99 8.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.341 0.591 . . . . 0.0 110.494 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.4 t -83.09 -26.06 31.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.325 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.7 -166.28 38.9 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.522 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -176.87 -30.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.092 0.473 . . . . 0.0 109.746 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -86.03 29.63 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.887 176.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.17 -31.22 71.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.145 -173.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.72 -164.61 21.06 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.237 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.9 m -95.27 13.53 25.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.789 0.328 . . . . 0.0 111.053 -177.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -57.65 -35.02 69.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.697 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.01 101.02 12.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.388 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -133.81 -40.27 0.86 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.47 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.02 83.57 0.76 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.104 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.488 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 28.3 t80 -158.87 -65.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.626 0.251 . . . . 0.0 110.608 -177.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 75.6 mt-10 -115.1 -56.9 2.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.726 0.298 . . . . 0.0 110.59 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.93 59.22 3.88 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.14 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.25 21.17 2.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.54 0.686 . . . . 0.0 109.502 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -82.15 116.89 21.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.669 -171.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.2 tpp -103.51 -19.76 14.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.159 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -90.32 106.57 18.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.358 0.599 . . . . 0.0 112.54 -169.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 4.5 m-20 -93.61 89.81 6.39 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 167.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.488 ' HE2' ' HB2' ' A' ' 33' ' ' MET . 6.5 ttm -71.26 -20.08 62.27 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.887 -177.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -58.41 -35.1 71.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.687 169.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER -78.37 -46.52 19.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.612 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' O ' HG22 ' A' ' 40' ' ' VAL . 42.9 mt-10 -57.84 -30.28 65.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.956 177.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -72.84 -48.98 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.487 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.67 -39.7 77.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.93 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.84 77.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.103 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 36' ' ' GLU . 78.0 t -62.97 -39.35 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.218 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.566 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 53.9 t -56.06 -33.49 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.341 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -88.35 -24.18 23.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.422 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -80.92 -55.93 4.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.566 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 40' ' ' VAL . 34.9 m -88.97 4.99 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.709 0.29 . . . . 0.0 111.682 -173.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 61.7 tp -61.21 -26.66 67.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.066 0.46 . . . . 0.0 110.74 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -72.25 -14.22 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.716 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.31 -10.33 21.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.81 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.559 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 35.4 m -123.14 -170.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.671 0.272 . . . . 0.0 111.212 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -90.68 -56.53 3.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.159 0.504 . . . . 0.0 109.708 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -137.68 158.95 43.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.465 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.443 ' HE3' HG23 ' A' ' 66' ' ' ILE . 19.9 ttt -168.03 134.91 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -160.76 154.98 23.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.2 142.19 16.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.5 ' HB3' HD21 ' A' ' 57' ' ' LEU . 11.0 m -70.14 164.33 24.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 111.319 -175.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HZ1' ' HB2' ' A' ' 55' ' ' LYS . 3.4 ttmp? -122.15 -24.72 5.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.174 -171.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 50.8 m -111.1 25.24 11.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.716 0.77 . . . . 0.0 110.292 -172.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.648 ' HG ' ' CB ' ' A' ' 65' ' ' TYR . 3.9 mm? -113.78 -147.19 0.41 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.718 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.466 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 28.1 ptt-85 -133.18 131.95 41.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.218 174.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 78.4 m -130.04 46.28 2.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.746 0.784 . . . . 0.0 109.748 -176.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.78 82.32 7.88 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.833 -173.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 66.7 -72.99 0.08 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.082 0.864 . . . . 0.0 112.553 171.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.98 -19.54 54.3 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.385 0.674 . . . . 0.0 111.809 -173.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 13.3 p -129.81 144.67 37.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.668 -176.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.43 119.98 4.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.938 0.399 . . . . 0.0 110.733 171.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.648 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 74.5 m-85 -86.74 138.92 31.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.418 177.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.443 HG23 ' HE3' ' A' ' 51' ' ' MET . 58.9 mt -123.87 135.84 62.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.584 -178.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.626 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 95.8 m-20 -97.33 108.02 20.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 p -113.77 138.52 43.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.091 0.472 . . . . 0.0 110.608 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.507 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.1 tt0 -120.9 101.02 7.42 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.723 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 77.1 p -65.27 164.0 14.26 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.571 -176.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.559 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 89.8 mttt -66.18 -23.44 66.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.941 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -74.82 4.17 6.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.892 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 67.18 21.55 9.99 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.463 0.649 . . . . 0.0 111.328 172.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.51 128.09 49.28 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 169.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.41 ' HG2' ' HG3' ' A' ' 69' ' ' GLU . 29.2 mtm180 -96.24 146.1 25.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 97.6 m-85 -139.04 142.9 38.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.047 0.451 . . . . 0.0 110.664 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 23.5 t -105.56 109.09 20.93 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 172.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.5 mt -98.59 135.86 39.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.196 -173.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -94.13 100.36 12.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.4 tp -78.62 117.22 19.57 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.779 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.472 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 13.0 p -136.69 167.63 21.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.297 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -66.5 -20.33 66.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.958 0.409 . . . . 0.0 110.619 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.45 1.82 47.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.613 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.73 -171.25 15.07 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.764 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 85' ' ' LEU . 5.3 mp -107.42 123.45 48.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.571 ' HG2' ' HB3' ' A' ' 103' ' ' TYR . 22.4 mttp -113.59 149.36 34.63 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.64 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.2 t -88.87 104.07 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.796 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.74 -5.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.019 0.438 . . . . 0.0 110.905 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.12 165.04 35.75 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.636 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 4.6 p90 -128.16 27.65 5.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.669 0.747 . . . . 0.0 109.788 177.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.96 162.74 39.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.797 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.626 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 22.3 m-85 -68.42 119.2 12.53 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.247 -0.181 . . . . 0.0 110.672 -177.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.538 ' HB3' ' HB2' ' A' ' 56' ' ' SER . 36.5 m-20 67.28 24.98 8.93 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.478 0.486 . . . . 0.0 111.867 174.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -122.46 107.08 11.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.57 0.224 . . . . 0.0 111.403 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.6 t -82.51 125.05 39.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 170.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.76 136.83 38.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.114 0.483 . . . . 0.0 111.391 -173.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -82.27 -13.44 57.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.761 -176.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -88.46 -22.39 23.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.044 0.449 . . . . 0.0 109.894 -176.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.413 HD12 ' HD2' ' A' ' 90' ' ' TYR . 35.6 mt -71.21 117.82 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.994 0.902 . . . . 0.0 112.095 -176.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -116.76 25.92 10.21 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.0 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.88 152.31 91.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 114.099 -1.409 . . . . 0.0 112.303 -175.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.55 -162.77 0.19 Allowed 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.879 2.386 . . . . 0.0 112.347 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.571 ' HB3' ' HG2' ' A' ' 86' ' ' LYS . 6.3 p90 -142.86 166.65 24.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.853 -177.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.21 161.64 20.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.343 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -82.99 -39.26 21.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.283 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.434 HG23 ' HG2' ' A' ' 105' ' ' GLU . 70.8 p -123.52 159.16 29.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.963 0.411 . . . . 0.0 110.843 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.09 -29.85 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -70.12 -47.75 60.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.2 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.6 t -67.59 -27.0 66.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.073 0.463 . . . . 0.0 110.176 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.9 tp -75.97 -52.34 10.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.476 ' HA ' HD11 ' A' ' 114' ' ' LEU . 14.9 tp -60.64 -29.27 69.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.141 0.496 . . . . 0.0 110.72 -176.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.61 -37.82 88.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.786 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.5 p -77.82 -9.97 59.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.003 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.538 ' HB3' HG21 ' A' ' 70' ' ' THR . 36.4 mt -102.4 -29.94 11.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.186 -174.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.723 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 73.7 m -151.36 118.01 3.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.815 177.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.39 -18.06 59.26 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.809 2.339 . . . . 0.0 111.75 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.35 -13.6 62.4 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.688 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -56.2 -39.67 72.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.144 172.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 36.4 mtp85 -65.03 -37.75 88.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.886 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -77.18 -36.26 55.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.772 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -58.1 -61.33 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.979 0.418 . . . . 0.0 111.233 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -73.26 -24.8 60.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.84 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -65.48 -39.24 95.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.932 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -63.35 -45.87 89.21 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.873 0.368 . . . . 0.0 110.315 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.8 92.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.163 0.506 . . . . 0.0 110.291 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.8 tp -64.79 -44.83 88.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.182 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 128' ' ' GLN . 4.6 pp -72.54 -32.74 66.32 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.933 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.463 ' N ' HD13 ' A' ' 127' ' ' LEU . 25.9 tt0 -70.17 -38.41 75.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.215 0.531 . . . . 0.0 109.883 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -71.28 -23.74 62.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.356 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 49.2 tp -76.82 -31.76 57.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.979 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.93 -15.35 62.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.067 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.52 -21.84 66.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.847 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.5 mp -82.33 -10.69 58.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.06 0.457 . . . . 0.0 110.317 178.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -98.65 -35.86 10.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.032 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.37 7.91 33.38 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -80.2 -21.31 43.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.804 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 80.88 16.46 75.0 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.936 -0.575 . . . . 0.0 113.071 174.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -64.58 108.13 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.299 0.571 . . . . 0.0 111.024 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.164 -178.747 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 121.241 0.544 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -98.73 155.74 17.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.459 -176.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.0 t -87.67 132.16 34.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.22 0.533 . . . . 0.0 111.05 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -155.14 10.82 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.788 0.804 . . . . 0.0 109.04 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.1 p -106.16 93.0 4.38 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.823 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.455 HD21 ' HB2' ' A' ' 8' ' ' MET . 10.5 t30 -90.48 132.9 34.02 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.342 -177.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 6' ' ' ASN . 16.1 Cg_exo -69.21 53.26 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.377 2.718 . . . . 0.0 112.734 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.455 ' HB2' HD21 ' A' ' 6' ' ' ASN . 27.8 ttt -102.71 -21.31 14.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -77.93 131.16 37.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.653 175.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -122.83 115.54 22.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.717 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 t 68.94 97.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.751 176.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 p -108.24 24.57 12.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.56 173.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.5 ttm 67.74 -82.6 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.733 -177.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.7 m -159.43 -52.36 0.06 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.36 174.29 42.52 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.251 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -116.31 28.15 8.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.296 0.569 . . . . 0.0 109.803 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 45.8 mt-10 -74.21 134.02 42.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.698 -177.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 61.7 mm-40 74.2 8.86 4.6 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.053 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.93 42.32 2.12 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -84.6 133.13 34.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.939 0.4 . . . . 0.0 111.807 -175.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -121.92 128.41 51.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.345 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.4 mt -121.66 114.27 20.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.976 0.417 . . . . 0.0 111.125 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -102.83 120.93 41.46 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.98 -69.53 1.19 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.913 -174.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -136.1 -175.53 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.986 0.422 . . . . 0.0 110.725 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -79.32 83.19 5.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.785 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.41 -69.01 2.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.096 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 t -103.51 151.81 22.42 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -81.96 -11.14 59.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.917 0.389 . . . . 0.0 110.586 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 46.2 ttm -71.48 120.32 16.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.609 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -116.91 140.23 49.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.993 0.425 . . . . 0.0 109.953 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -103.87 140.56 37.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 31.0 tpp -77.67 -31.38 52.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.545 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 55.3 ttt-85 -70.52 -33.22 70.94 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.7 tp -55.8 -57.48 11.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.745 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.3 mm-40 -58.57 -35.39 72.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.938 177.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.49 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -63.47 -53.62 49.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.213 -177.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.78 -37.13 73.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.492 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.3 -50.06 69.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.76 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 44' ' ' VAL . 57.7 t -60.08 -45.23 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.586 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.554 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 88.7 t -58.97 -33.4 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 111.266 -178.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -85.28 -24.23 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.019 0.438 . . . . 0.0 110.705 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -79.47 -57.98 3.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.503 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 40' ' ' VAL . 34.8 m -85.68 4.05 3.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.587 -173.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.4 tp -56.75 -37.82 71.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.037 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -69.37 -24.59 63.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.84 -9.26 49.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.051 0.453 . . . . 0.0 111.345 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.6 m -117.32 -167.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.862 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -100.58 -49.1 4.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 69' ' ' GLU . 0.7 OUTLIER -139.11 161.01 38.44 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 177.545 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.554 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 12.0 ttt -170.12 129.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.596 ' HE2' ' HE3' ' A' ' 55' ' ' LYS . 59.3 t80 -159.43 143.91 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.55 HG12 HG12 ' A' ' 66' ' ' ILE . 27.7 m -69.45 157.99 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.071 0.462 . . . . 0.0 111.304 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.485 ' CB ' HD12 ' A' ' 57' ' ' LEU . 6.8 m -79.5 164.06 24.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.373 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.596 ' HE3' ' HE2' ' A' ' 52' ' ' PHE . 98.9 mttt -128.49 -17.74 4.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.44 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -95.07 -5.58 44.0 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.485 HD12 ' CB ' ' A' ' 54' ' ' SER . 64.3 mt -106.02 -144.24 0.38 Allowed 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 113.883 -1.508 . . . . 0.0 109.31 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.7 ptt-85 -153.16 158.53 41.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.326 0.584 . . . . 0.0 111.304 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 1.4 p -154.43 85.43 1.13 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.148 178.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -143.11 102.34 3.98 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.621 -176.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 76.93 -66.66 0.24 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.615 168.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.01 -28.02 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -171.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 11.4 p -136.3 149.49 27.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.83 0.348 . . . . 0.0 111.14 -172.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.582 ' HB2' ' HB3' ' A' ' 80' ' ' LEU . . . -140.96 109.2 5.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.224 173.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.484 ' HB3' HD11 ' A' ' 57' ' ' LEU . 57.6 m-85 -86.68 119.53 27.01 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.496 177.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.55 HG12 HG12 ' A' ' 53' ' ' VAL . 46.5 mt -128.06 141.12 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -175.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 77.8 m-20 -100.44 119.09 37.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.422 HG21 ' HG3' ' A' ' 51' ' ' MET . 9.8 p -117.96 134.76 60.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.361 0.601 . . . . 0.0 111.625 -178.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 43.3 tt0 -116.49 98.63 6.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.306 176.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.532 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 42.6 p -63.63 174.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.551 -177.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.4 -8.52 54.31 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.324 0.583 . . . . 0.0 110.182 176.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.408 ' HG3' HD21 ' A' ' 74' ' ' ASN . 7.6 tp10 -81.24 -8.55 59.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.145 172.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 64.79 11.53 6.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.405 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.408 HD21 ' HG3' ' A' ' 72' ' ' GLU . 12.1 m-80 -87.14 123.58 32.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.512 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 83.6 mtm180 -98.94 128.86 45.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.726 -170.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -127.67 145.38 50.91 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.536 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.1 p -103.53 127.48 50.93 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.0 mt -111.79 136.13 51.46 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.398 -173.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -95.25 95.92 8.83 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.772 -1.103 . . . . 0.0 108.832 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 65.9 tp -79.35 116.41 19.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.165 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 p -126.22 171.6 10.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.573 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -9.73 58.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.735 0.302 . . . . 0.0 111.384 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.38 -21.98 25.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.886 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.94 -173.25 27.19 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.878 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.08 127.47 47.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.149 0.5 . . . . 0.0 110.805 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -126.19 138.61 53.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.209 -177.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.02 139.71 17.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.473 ' HB ' ' HA ' ' A' ' 95' ' ' VAL . 10.5 m -120.5 -16.17 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.62 -178.16 41.8 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.359 -0.924 . . . . 0.0 112.193 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -122.34 35.33 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.159 0.504 . . . . 0.0 110.167 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -153.36 -166.1 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.716 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.512 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 15.6 m-30 -91.86 129.54 37.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.769 178.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.48 ' OD2' ' HB3' ' A' ' 54' ' ' SER . 2.6 m-20 57.6 49.89 11.84 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.871 0.732 . . . . 0.0 111.69 174.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -126.8 130.46 50.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.491 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.473 ' HA ' ' HB ' ' A' ' 88' ' ' VAL . 88.7 t -131.27 110.32 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.902 0.382 . . . . 0.0 110.833 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -98.96 131.8 44.75 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.372 174.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -80.82 -9.43 59.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.813 0.339 . . . . 0.0 111.423 -173.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -86.39 -22.12 26.78 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.1 mt -74.04 115.05 13.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.413 0.625 . . . . 0.0 110.722 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -126.43 40.16 3.78 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.748 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.2 p -54.46 135.41 62.18 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.15 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.32 123.73 14.49 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.851 2.367 . . . . 0.0 111.918 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -52.96 123.88 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.395 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -79.18 150.39 31.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -54.3 -62.25 1.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.926 0.766 . . . . 0.0 111.083 -172.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.5 p -130.36 178.6 6.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.815 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -66.65 -26.58 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.1 0.476 . . . . 0.0 109.862 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -72.31 -49.72 32.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.555 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.1 p -75.74 -1.85 26.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.086 0.47 . . . . 0.0 111.104 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 43.9 tp -95.9 -44.04 7.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.242 0.544 . . . . 0.0 110.05 171.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 tp -74.2 -16.73 60.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.772 -176.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.79 -20.6 53.0 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -177.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 m -87.59 -20.17 26.78 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 112.918 -1.946 . . . . 0.0 110.77 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.408 ' HB3' HG22 ' A' ' 70' ' ' THR . 91.3 mt -102.58 -40.26 6.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.185 -174.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.532 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 60.1 m -139.49 106.88 7.12 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.848 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.67 -13.34 38.49 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.743 2.296 . . . . 0.0 111.301 175.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.72 -14.4 62.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.368 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.92 -44.99 82.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.514 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -76.01 -34.01 59.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.095 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -62.91 -48.63 78.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.793 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.11 86.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.993 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -63.95 -45.32 89.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.92 -39.1 96.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.629 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.486 ' HA ' ' HG ' ' A' ' 127' ' ' LEU . 33.9 m-80 -74.31 -23.22 59.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.582 0.229 . . . . 0.0 111.087 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.12 -32.8 74.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.393 . . . . 0.0 110.324 177.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.74 -43.93 71.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.265 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.486 ' HG ' ' HA ' ' A' ' 124' ' ' ASN . 4.6 pp -76.89 -12.61 59.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.919 0.39 . . . . 0.0 110.682 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.8 -19.75 66.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.098 0.475 . . . . 0.0 110.325 177.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -67.77 -13.82 62.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.039 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.31 -42.56 79.22 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 173.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -70.49 -36.7 73.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.767 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.75 73.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.848 177.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.59 -45.25 76.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.689 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -64.75 -33.26 75.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.772 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -97.67 13.33 30.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.153 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -83.0 -49.39 9.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.009 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.58 164.52 39.7 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.794 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -123.67 127.02 47.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.13 0.49 . . . . 0.0 111.306 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.484 177.356 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -102.98 101.19 11.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.755 -172.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -126.71 -19.07 4.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.398 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -80.32 110.45 15.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.13 0.491 . . . . 0.0 110.917 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.0 t -146.92 -13.63 0.42 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.333 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.4 t30 56.98 86.53 0.16 Allowed Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.573 -172.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -76.1 65.16 7.03 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.775 2.317 . . . . 0.0 111.484 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 ttt -77.35 72.3 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.393 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -111.41 10.93 21.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.981 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 99.5 mt -110.45 151.71 27.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.281 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 p -78.07 117.97 19.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.457 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t -87.01 18.01 3.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.377 0.608 . . . . 0.0 110.92 -174.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.39 23.8 6.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.767 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.1 t -70.84 -31.91 68.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.626 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.37 58.97 4.96 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 175.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -84.38 19.31 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 0.0 111.441 -176.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -63.44 -26.86 68.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.483 0.659 . . . . 0.0 109.507 173.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -91.71 113.14 25.33 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.586 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.81 48.51 0.25 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.944 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 p -92.23 147.13 23.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.756 0.312 . . . . 0.0 110.26 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -79.08 105.84 10.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 0.0 110.078 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 pp -121.41 161.45 22.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.706 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -114.62 83.06 1.83 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.821 0.82 . . . . 0.0 110.114 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.52 -6.71 1.78 Allowed Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.287 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.706 ' HE2' ' HB ' ' A' ' 28' ' ' THR . 20.0 t80 -80.97 130.64 35.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -60.94 -66.41 0.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.948 -172.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.59 -105.4 0.25 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.196 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.706 ' HB ' ' HE2' ' A' ' 25' ' ' PHE . 20.3 m 55.33 86.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.446 0.641 . . . . 0.0 112.7 178.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -98.69 142.49 30.18 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 97.8 mmm -66.44 137.64 56.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.306 0.574 . . . . 0.0 112.037 -173.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -131.36 110.57 11.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 29.2 m-20 -62.3 115.86 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.525 0.202 . . . . 0.0 110.863 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.539 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 26.2 tpp -66.09 -19.03 65.72 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 120.927 0.394 . . . . 0.0 110.668 -178.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.56 -38.93 86.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.016 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 32' ' ' ASP . 1.4 mt -78.21 -45.62 22.55 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.902 -177.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.41 -33.13 67.56 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.635 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.49 -49.84 65.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.201 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.31 -41.58 93.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.572 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.41 96.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.97 -47.48 90.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.049 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.32 -43.59 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.661 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -86.48 1.69 50.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.726 -176.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -93.49 -45.66 7.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -108.92 19.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.539 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.18 -30.62 64.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.928 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -82.71 -3.1 55.96 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.92 -0.22 51.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.284 0.564 . . . . 0.0 110.419 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.525 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 34.0 m -139.36 179.6 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.678 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -75.74 -63.2 1.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -138.26 151.92 48.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.17 177.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.445 ' HE2' ' HB ' ' A' ' 68' ' ' VAL . 15.4 ttt -154.17 135.44 14.06 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -160.66 160.8 31.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.617 0.246 . . . . 0.0 110.418 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.73 134.63 29.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 174.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.589 ' CB ' HD13 ' A' ' 57' ' ' LEU . 17.2 m -58.82 126.78 29.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.079 0.466 . . . . 0.0 112.227 -171.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -94.05 -3.46 51.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.412 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 m -109.05 3.85 22.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 109.257 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.589 HD13 ' CB ' ' A' ' 54' ' ' SER . 37.1 mt -126.03 -149.97 0.43 Allowed 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.988 -174.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.447 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 43.6 ptt85 -150.86 172.35 15.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.269 0.557 . . . . 0.0 111.734 -173.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.0 p -141.93 131.27 23.61 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.296 174.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.461 ' C ' ' H ' ' A' ' 62' ' ' ASP . . . -118.2 14.81 14.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.6 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.539 ' O ' ' HB2' ' A' ' 33' ' ' MET . 66.7 m-20 70.98 -28.51 0.18 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.588 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 60' ' ' ALA . 10.8 t70 -79.46 -24.69 42.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.904 0.859 . . . . 0.0 108.768 166.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' A' ' 60' ' ' ALA . 14.7 p -143.37 146.25 21.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.099 -176.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.64 118.44 11.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.413 175.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.502 ' HB3' HD12 ' A' ' 57' ' ' LEU . 71.2 m-85 -87.57 124.43 33.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.773 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.0 mt -123.48 138.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.803 -175.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -107.43 124.51 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.03 176.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.445 ' HB ' ' HE2' ' A' ' 51' ' ' MET . 7.7 p -126.86 138.64 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.118 0.485 . . . . 0.0 111.007 -178.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HB2' ' HZ ' ' A' ' 92' ' ' PHE . 41.2 tt0 -128.37 108.72 10.8 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.525 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 71.9 p -70.36 172.47 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.771 -174.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.508 ' HD3' ' HB2' ' A' ' 117' ' ' ALA . 43.5 mtpt -60.85 -28.99 69.24 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.107 0.479 . . . . 0.0 110.675 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' OE1' ' HD2' ' A' ' 116' ' ' PRO . 36.4 mt-10 -82.59 6.78 16.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.617 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 68.78 16.67 8.9 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.898 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -85.14 115.47 22.96 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -96.36 138.47 33.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.138 -172.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -131.53 150.82 52.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.843 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.2 t -114.94 121.44 43.19 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 173.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -111.05 131.05 55.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.417 0.627 . . . . 0.0 112.023 -171.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.48 ' HG2' HG22 ' A' ' 81' ' ' THR . 45.6 tt0 -101.6 97.56 7.97 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.916 173.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.463 HD11 ' HG ' ' A' ' 85' ' ' LEU . 52.0 tp -78.7 115.97 18.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.903 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.48 HG22 ' HG2' ' A' ' 79' ' ' GLU . 23.4 p -129.94 -171.4 2.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.901 -176.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -65.62 -19.69 66.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 110.726 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.04 5.28 52.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.18 -147.13 16.74 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.99 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.463 ' HG ' HD11 ' A' ' 80' ' ' LEU . 6.3 mp -96.97 124.67 41.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 110.226 -178.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.617 ' HD2' ' HE1' ' A' ' 103' ' ' TYR . 62.3 tttt -121.05 142.07 50.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.94 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.529 ' HB ' HG23 ' A' ' 101' ' ' THR . 95.4 t -89.07 116.56 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.478 ' HB ' HG12 ' A' ' 95' ' ' VAL . 9.4 m -107.51 -1.53 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.891 0.377 . . . . 0.0 111.367 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -177.88 163.97 32.6 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.07 -1.062 . . . . 0.0 112.595 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -120.22 33.85 5.44 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.868 0.842 . . . . 0.0 109.561 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -158.33 159.96 36.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.288 176.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.523 ' HZ ' ' HB2' ' A' ' 69' ' ' GLU . 78.5 m-85 -72.73 130.54 40.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 t0 70.01 21.05 6.31 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.771 0.796 . . . . 0.0 110.289 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.428 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 34.0 tt0 -111.28 105.73 14.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.428 177.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' A' ' 88' ' ' VAL . 75.4 t -132.8 118.19 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.094 0.473 . . . . 0.0 111.913 -175.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.77 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 9.2 t70 -107.29 120.88 43.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 169.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -68.51 -31.02 69.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.195 -171.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -101.05 9.83 41.7 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -170.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.77 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 21.2 mt -65.08 116.93 6.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.022 0.439 . . . . 0.0 110.895 177.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -87.86 89.4 7.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.95 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.529 HG23 ' HB ' ' A' ' 87' ' ' VAL . 20.0 p -108.31 159.35 31.02 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.502 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -66.42 102.6 0.6 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.089 1.86 . . . . 0.0 112.809 -176.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.617 ' HE1' ' HD2' ' A' ' 86' ' ' LYS . 19.8 m-85 -63.54 122.26 15.87 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.965 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.454 ' HD1' ' HA ' ' A' ' 110' ' ' LEU . 37.6 m80 -123.19 132.2 53.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -10.16 59.26 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.196 -172.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.7 p -127.28 142.86 51.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.157 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.61 -28.01 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.825 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -64.52 -49.13 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.128 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.6 t -61.65 -34.55 75.9 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.691 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.454 ' HA ' ' HD1' ' A' ' 104' ' ' HIS . 32.2 tp -76.02 -55.2 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.568 -177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.8 tp -62.69 -28.23 69.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.885 0.374 . . . . 0.0 110.517 -174.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.24 -38.66 85.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.777 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.6 p -76.61 -5.64 48.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.538 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 48.0 mt -115.47 -49.1 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.523 ' OG ' HG23 ' A' ' 70' ' ' THR . 35.9 m -128.98 124.8 22.61 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -173.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.494 ' HD2' ' OE1' ' A' ' 72' ' ' GLU . 42.9 Cg_endo -68.77 -16.2 41.51 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.827 2.351 . . . . 0.0 111.852 176.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.508 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -64.77 -24.37 67.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.309 0.576 . . . . 0.0 110.023 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -60.51 -50.94 71.57 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.044 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.47 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.05 -48.48 81.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.626 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.0 -43.29 19.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.454 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -62.75 -46.98 85.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.549 -178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.97 -37.59 94.84 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.845 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -62.8 -43.91 97.55 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.43 -41.19 93.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.333 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.65 -41.06 79.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.601 -178.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 128' ' ' GLN . 4.6 pp -74.69 -32.85 62.31 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.843 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.444 ' N ' HD12 ' A' ' 127' ' ' LEU . 5.8 tp-100 -70.3 -37.6 74.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.999 0.428 . . . . 0.0 109.918 176.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -54.14 -38.52 65.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.492 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 55.1 tp -86.97 -40.56 14.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.961 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 28.9 tt0 -66.74 -38.76 87.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.925 -175.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.62 -32.66 73.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.098 0.475 . . . . 0.0 110.679 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.2 tt -75.82 -27.85 58.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.62 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -75.29 -24.41 57.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.376 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 131' ' ' GLU . 95.7 mtt180 -82.5 -6.43 59.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.497 177.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -94.76 153.63 17.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.133 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.01 -131.35 9.86 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.69 98.27 2.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.202 0.525 . . . . 0.0 109.902 178.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.757 178.155 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 mtt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.815 0.341 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.78 -34.56 14.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 174.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 86.7 m -106.14 103.2 12.62 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.065 169.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -67.93 152.54 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.669 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.7 t -73.89 162.77 28.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.512 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.0 t30 63.07 77.92 0.31 Allowed Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.773 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -92.45 20.2 0.84 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.061 2.508 . . . . 0.0 111.739 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.6 mtp -71.58 103.21 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.829 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -81.34 113.3 19.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.703 -172.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.8 tp -92.76 111.25 22.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m -55.8 -59.19 5.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.556 -174.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.2 p -164.69 -82.79 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 mpt? 64.85 -70.15 0.09 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.71 0.804 . . . . 0.0 111.437 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 t -134.98 -24.38 1.46 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.984 0.421 . . . . 0.0 110.314 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.01 -161.58 40.68 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.916 -176.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -130.65 2.91 4.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -95.95 166.52 11.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.378 -171.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 68.34 15.69 9.27 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.267 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.42 60.28 1.74 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.015 176.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -76.2 -14.95 60.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.487 0.661 . . . . 0.0 109.743 173.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -141.06 143.03 34.13 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 tt -80.1 -76.88 0.21 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -96.89 77.82 2.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.382 0.611 . . . . 0.0 110.313 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 25' ' ' PHE . . . -127.33 131.72 7.28 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.937 177.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 97.0 m-85 73.31 -53.85 0.69 Allowed 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.379 0.672 . . . . 0.0 110.695 -177.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -115.15 128.26 56.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.843 0.354 . . . . 0.0 110.789 177.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.65 74.87 0.43 Allowed Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.4 m -76.2 109.58 9.99 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -171.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 59.62 18.33 7.01 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.366 172.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.863 ' HA ' ' HE1' ' A' ' 30' ' ' MET . 10.9 mmt -81.0 118.33 22.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -80.23 138.23 36.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.996 -175.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.513 ' OD1' ' HB2' ' A' ' 34' ' ' ARG . 8.6 t70 -59.73 106.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.158 176.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.493 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 27.0 tpp -66.41 -19.44 65.8 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -177.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.513 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 77.2 mtm180 -70.3 -32.91 70.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.413 -175.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 32' ' ' ASP . 5.9 mt -65.58 -52.52 51.63 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.372 0.606 . . . . 0.0 109.494 177.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.93 -31.99 69.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.545 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -67.97 -52.71 32.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.521 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.94 -37.14 86.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.888 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.36 97.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.062 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.488 HG11 HG11 ' A' ' 107' ' ' VAL . 37.0 t -65.54 -49.12 79.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.903 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.583 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 69.7 t -53.71 -53.89 23.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.669 -176.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.88 -34.19 77.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.672 -175.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.01 -50.14 37.38 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -171.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.8 m -96.36 4.89 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 7.6 tt -62.0 -28.91 69.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.961 0.41 . . . . 0.0 110.612 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -66.96 -19.63 65.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.473 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.83 7.52 37.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 111.509 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.604 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 31.8 m -130.58 -178.14 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -89.25 -37.83 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.105 0.479 . . . . 0.0 110.238 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -159.72 151.96 20.88 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.7 ttt -165.68 130.5 2.39 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -158.88 161.61 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.588 0.232 . . . . 0.0 110.617 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.21 140.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.425 ' CB ' HD23 ' A' ' 57' ' ' LEU . 8.6 m -72.66 160.63 31.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.898 -175.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -127.54 -4.22 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -172.377 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.53 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 4.5 m -110.51 12.53 22.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.534 0.683 . . . . 0.0 110.284 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.626 ' HG ' ' CB ' ' A' ' 65' ' ' TYR . 3.7 mm? -109.28 -150.74 0.46 Allowed 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.031 -176.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -140.83 130.01 23.52 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.789 175.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.7 m -122.72 88.72 2.98 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.48 176.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -96.86 19.71 12.2 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.71 -175.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 33' ' ' MET . 80.4 m-20 78.6 -24.96 0.2 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.521 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.05 -33.46 73.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 168.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 p -143.76 154.47 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.355 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.07 117.35 4.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.003 172.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.626 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 86.5 m-85 -86.89 128.7 35.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.061 0.457 . . . . 0.0 110.917 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.5 mt -118.09 132.65 67.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.612 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.569 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 84.6 m-20 -95.57 112.28 24.03 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 11.2 p -113.33 142.23 26.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.0 0.429 . . . . 0.0 110.708 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.5 tt0 -135.28 105.66 6.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.604 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 81.5 p -72.91 -177.18 2.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.58 -175.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -68.84 -21.65 64.27 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.956 0.407 . . . . 0.0 110.461 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -72.5 -5.97 40.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.08 174.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 66.23 20.06 11.08 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.216 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -92.76 119.26 31.95 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.584 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -96.41 141.45 29.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.068 -176.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -137.42 146.97 45.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.811 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.6 t -101.19 117.28 34.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 70.0 mt -106.44 131.84 53.16 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.169 0.509 . . . . 0.0 111.454 -174.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.69 107.89 19.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.483 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.0 tp -89.19 115.34 26.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.997 0.427 . . . . 0.0 110.553 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 p -137.69 -169.13 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.423 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.72 -17.81 64.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.988 0.423 . . . . 0.0 110.771 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.48 -12.67 57.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.738 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.54 -146.01 17.8 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.783 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.38 118.36 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.835 0.35 . . . . 0.0 110.27 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 34.2 ttpt -113.78 138.0 50.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.472 -178.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.8 t -81.0 107.35 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 110.191 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.51 ' HB ' HG13 ' A' ' 95' ' ' VAL . 26.8 m -97.13 -10.34 8.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -173.77 160.61 30.78 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.079 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -109.07 35.56 3.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.492 0.663 . . . . 0.0 110.425 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -150.7 169.66 21.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.933 176.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.569 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 83.3 m-85 -74.16 125.45 28.39 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.497 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 56' ' ' SER . 13.5 m-20 65.63 19.39 11.44 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.65 0.594 . . . . 0.0 111.103 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -100.26 115.36 29.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.684 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.51 HG13 ' HB ' ' A' ' 88' ' ' VAL . 86.6 t -120.18 117.13 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.545 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.462 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 10.0 t70 -98.64 126.71 44.32 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -65.44 -26.9 68.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.992 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -95.43 3.46 54.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.362 -174.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.462 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 21.6 mt -89.72 114.58 26.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.15 0.5 . . . . 0.0 110.908 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -124.79 77.13 1.57 Allowed 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -85.83 157.11 57.95 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.926 -176.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -68.73 107.83 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.432 2.088 . . . . 0.0 111.625 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.55 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 1.0 OUTLIER -78.22 153.53 31.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.841 -179.061 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -120.65 143.34 48.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.32 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -29.47 70.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -172.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.8 p -131.4 158.68 40.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.643 0.259 . . . . 0.0 110.76 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.488 HG11 HG11 ' A' ' 40' ' ' VAL . 10.3 p -65.24 -29.54 47.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.296 177.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -60.74 -53.69 54.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.26 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.5 m -60.17 -32.26 70.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.399 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.78 -54.39 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.149 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.67 -19.86 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.005 0.431 . . . . 0.0 111.259 -177.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.29 -18.15 53.25 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.966 1.365 . . . . 0.0 108.138 -177.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 55.3 m -93.94 -14.96 25.4 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 112.704 -2.044 . . . . 0.0 110.665 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.9 mt -114.83 -44.2 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -174.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.45 ' HB2' ' HB2' ' A' ' 118' ' ' TYR . 63.8 m -108.59 117.19 54.86 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.134 0.492 . . . . 0.0 112.318 -172.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.52 -33.01 18.42 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.434 2.089 . . . . 0.0 111.292 172.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.25 -19.4 59.76 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.004 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.45 ' HB2' ' HB2' ' A' ' 115' ' ' SER . 75.1 t80 -59.31 -43.68 92.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.752 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -67.55 -35.37 78.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.508 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -72.31 -49.84 31.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.635 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.42 -31.96 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.96 -175.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -59.83 -38.87 83.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 0.0 110.642 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -68.54 -26.51 74.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.376 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.07 -33.81 76.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.66 0.267 . . . . 0.0 111.409 -176.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.72 -48.9 23.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.094 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.8 mp -60.59 -39.35 87.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.135 0.493 . . . . 0.0 109.705 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.416 ' C ' HD11 ' A' ' 127' ' ' LEU . 1.6 tm? -62.68 -46.74 86.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.62 176.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -63.68 -21.64 66.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.158 0.504 . . . . 0.0 110.788 -176.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -79.01 -3.79 46.82 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.553 -175.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 mp -78.01 -20.7 52.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.18 -0.325 . . . . 0.0 111.116 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.586 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 50.3 mt-10 -62.44 -30.22 71.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.636 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.38 -32.58 39.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.594 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.88 -41.99 58.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.924 0.392 . . . . 0.0 111.071 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -72.02 -37.61 69.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.313 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 131' ' ' GLU . 31.8 mtp180 -77.36 -17.66 58.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.91 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.87 -55.82 4.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.81 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -146.56 113.43 0.67 Allowed Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.888 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -89.06 122.33 32.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.94 0.4 . . . . 0.0 110.462 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.955 176.74 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.64 165.3 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.775 0.321 . . . . 0.0 110.42 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -73.82 -16.44 61.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.292 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 t70 66.7 -176.98 0.2 Allowed 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.41 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.2 m -142.6 126.13 16.81 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -149.41 83.56 6.45 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.38 0.609 . . . . 0.0 111.486 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -90.54 -84.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.895 2.397 . . . . 0.0 112.108 175.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.794 ' HA ' ' HE2' ' A' ' 8' ' ' MET . 2.7 tpt -160.7 78.57 0.62 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.4 -61.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.73 -174.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 mp -91.04 109.85 21.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.909 0.385 . . . . 0.0 110.113 175.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 m -80.6 -6.01 57.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.471 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 p -57.35 -42.37 81.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.24 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 28.0 ttt -134.09 99.31 4.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.805 176.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 t -82.95 167.84 17.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.86 -169.65 19.59 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.091 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -117.66 87.52 2.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.293 0.568 . . . . 0.0 109.583 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -96.53 152.17 18.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.484 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.74 101.68 2.63 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.15 59.04 0.45 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.703 -0.76 . . . . 0.0 113.17 -172.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m 69.37 -175.54 0.2 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.134 0.493 . . . . 0.0 111.736 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.32 150.01 20.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.54 -178.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.6 mt -77.38 84.87 3.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.098 0.475 . . . . 0.0 110.075 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -104.72 -8.94 18.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.737 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.26 100.03 1.36 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.652 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -74.12 98.45 3.13 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.881 0.372 . . . . 0.0 110.603 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 60.91 -156.94 0.34 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.803 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.28 -55.31 0.57 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.324 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.4 m -80.36 98.32 7.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -72.74 131.36 42.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.458 -176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 85.2 mtp 64.59 96.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 O-C-N 124.122 0.889 . . . . 0.0 111.226 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -94.46 113.12 24.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.837 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.682 ' HA ' ' HA ' ' A' ' 61' ' ' ASP . 8.1 t70 -62.95 113.92 3.36 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.611 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 22.2 tpp -64.26 -6.43 6.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.284 -171.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.637 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 3.5 ttm180 -53.95 -42.09 68.51 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.026 0.53 . . . . 0.0 110.974 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 3.1 mt -63.48 -50.58 69.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.144 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.45 -30.15 70.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.815 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -68.3 -53.75 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.093 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.27 -29.14 68.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.039 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.69 -56.45 17.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.288 174.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.498 ' O ' HG21 ' A' ' 44' ' ' VAL . 78.7 t -55.27 -40.77 57.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.309 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.586 HG22 HG11 ' A' ' 53' ' ' VAL . 97.7 t -55.8 -36.65 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.539 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.49 -43.59 14.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.75 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.38 -44.72 80.48 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.241 -175.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 40' ' ' VAL . 33.5 m -106.85 16.36 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.851 -177.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 62.2 tp -59.1 -46.46 88.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 111.489 -177.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.525 ' HD1' ' HB2' ' A' ' 121' ' ' ALA . 45.3 p90 -75.69 -8.41 56.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.78 -175.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.7 -16.64 35.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.074 0.464 . . . . 0.0 110.708 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 26.9 m -122.67 -169.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.657 -178.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.519 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 54.8 t30 -94.01 -42.71 8.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.317 0.58 . . . . 0.0 109.733 178.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -149.01 143.23 25.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.906 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.501 ' HB3' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -136.58 118.0 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.177 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.425 ' HD2' ' O ' ' A' ' 54' ' ' SER . 33.4 t80 -141.7 129.38 21.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.691 0.281 . . . . 0.0 110.807 -173.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.586 HG11 HG22 ' A' ' 41' ' ' VAL . 3.4 m -76.74 115.22 18.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.02 0.438 . . . . 0.0 110.921 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.633 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 1.2 m 52.82 -149.75 0.38 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.154 -177.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 54' ' ' SER . 2.6 ttpm? 166.55 -40.21 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.1 m -139.17 6.96 2.39 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 113.783 -1.553 . . . . 0.0 109.277 175.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.633 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 25.4 mt -98.0 -144.81 0.31 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.454 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -165.86 167.38 16.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.83 0.348 . . . . 0.0 110.769 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.9 p -132.44 95.45 3.63 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.63 85.05 2.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.256 -174.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.682 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 24.7 t70 59.71 -82.28 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.154 0.908 . . . . 0.0 112.537 173.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.52 -30.72 63.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.329 -174.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.92 136.96 52.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.007 0.432 . . . . 0.0 111.456 -175.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' A' ' 33' ' ' MET . . . -129.3 109.07 10.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.071 173.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.503 ' HB3' HD12 ' A' ' 57' ' ' LEU . 57.7 m-85 -86.27 119.06 26.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.92 0.39 . . . . 0.0 110.73 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.8 mt -120.88 140.82 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.798 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.536 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 91.2 m-20 -111.23 112.67 24.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.542 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.48 HG23 ' HG2' ' A' ' 51' ' ' MET . 10.7 p -118.33 142.5 32.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.253 0.549 . . . . 0.0 110.988 -176.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.56 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 33.9 tt0 -122.7 112.49 18.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.343 175.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.449 ' HA ' HG12 ' A' ' 48' ' ' VAL . 71.5 p -62.53 169.94 2.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.739 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HA ' ' HB2' ' A' ' 49' ' ' ASN . 16.3 ptpt -76.08 -0.36 21.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.68 178.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 16.0 tt0 -85.9 -4.97 59.29 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 169.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 60.34 44.63 12.11 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.283 -174.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -109.28 132.7 53.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.548 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 3.7 mpt_? -96.97 129.69 44.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.049 0.452 . . . . 0.0 111.313 -170.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -133.13 129.41 37.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.226 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 12.2 t -97.2 116.62 29.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.8 mt -110.58 128.72 55.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.314 0.578 . . . . 0.0 111.571 -173.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -97.14 101.59 13.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.188 175.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 57.5 tp -83.21 117.84 23.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.15 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.1 p -138.05 -170.66 2.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.067 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.79 -14.4 62.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.965 0.412 . . . . 0.0 110.517 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.57 2.1 55.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.395 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.44 -143.81 15.82 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.075 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.41 ' HB2' HD22 ' A' ' 110' ' ' LEU . 5.7 mp -105.21 110.89 23.43 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -178.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HE3' HG12 ' A' ' 88' ' ' VAL . 4.6 tmtm? -113.57 124.78 53.16 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.344 -176.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.24 128.26 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.694 -177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.467 HG12 ' HE3' ' A' ' 86' ' ' LYS . 13.2 m -114.31 -9.55 12.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.878 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.46 163.02 31.96 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.427 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -107.71 30.81 5.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.23 0.538 . . . . 0.0 110.205 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -153.52 163.47 39.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.679 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.536 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 17.2 m-85 -65.39 122.45 17.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.875 0.369 . . . . 0.0 110.987 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.564 ' OD1' ' HG ' ' A' ' 57' ' ' LEU . 14.2 m-20 66.77 24.16 9.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.451 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.727 HE21 ' HA ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -98.69 108.54 21.26 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.57 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.429 HG21 HG22 ' A' ' 88' ' ' VAL . 86.2 t -122.11 115.09 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.83 0.348 . . . . 0.0 111.602 -176.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 98' ' ' HIS . 31.5 t70 -126.49 111.96 15.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.515 171.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.85 -9.7 58.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.143 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.47 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 61.9 m80 -73.56 -19.18 60.96 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.95 114.95 6.93 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.411 169.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.436 HE21 ' HB3' ' A' ' 100' ' ' GLN . 2.2 pt20 -112.43 48.93 0.95 Allowed 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.522 0.677 . . . . 0.0 110.215 -175.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.6 p -67.39 138.24 94.01 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.439 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.99 129.17 32.93 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.642 2.228 . . . . 0.0 112.62 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -64.74 131.43 46.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.253 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -108.05 134.88 50.31 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -78.15 -45.04 24.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.426 -171.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.4 p -110.1 139.8 44.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.39 . . . . 0.0 111.491 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.28 -24.2 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.596 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -56.2 -60.76 3.04 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.461 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -70.2 -34.29 72.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.908 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 113' ' ' THR . 38.4 tp -65.22 -57.52 8.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.821 0.343 . . . . 0.0 111.403 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.471 HD21 HG11 ' A' ' 48' ' ' VAL . 27.5 tp -66.08 -31.92 73.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.167 -174.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.17 -37.75 88.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.294 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 110' ' ' LEU . 4.9 t -78.86 -17.0 56.34 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.437 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 97.4 mt -83.97 -46.35 12.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 75.7 m -137.74 112.88 9.11 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.166 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.1 -9.7 20.47 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.721 2.281 . . . . 0.0 111.678 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.499 ' HA ' ' HG2' ' A' ' 120' ' ' GLU . . . -71.95 -5.48 35.09 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.577 175.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.442 ' CD1' HD22 ' A' ' 111' ' ' LEU . 91.1 t80 -61.21 -48.58 80.86 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.838 174.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.611 ' HA ' ' HB3' ' A' ' 122' ' ' PHE . 43.7 mtm180 -74.81 -10.25 59.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.849 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 43.2 mm-40 -67.29 -50.01 61.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 171.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.525 ' HB2' ' HD1' ' A' ' 46' ' ' PHE . . . -76.9 -35.48 57.36 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.5 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.611 ' HB3' ' HA ' ' A' ' 119' ' ' ARG . 56.8 t80 -66.06 -35.92 81.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.368 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.78 -35.3 91.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.632 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.42 HD21 ' C ' ' A' ' 124' ' ' ASN . 0.2 OUTLIER -65.75 -34.46 78.23 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.462 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.09 -29.05 70.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.515 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.91 -54.11 17.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.737 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.85 -13.54 61.7 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.236 0.541 . . . . 0.0 110.785 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.04 -21.07 65.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.423 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -55.15 -52.92 61.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.743 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.74 -24.08 58.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.04 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -73.97 -54.8 7.13 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' A' ' 135' ' ' ARG . . . -65.82 -26.83 67.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.386 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 43.0 tp -60.66 -29.7 69.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.797 177.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -94.79 -16.28 23.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.099 0.476 . . . . 0.0 110.085 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.401 ' HB3' ' HA ' ' A' ' 132' ' ' ALA . 61.4 ttt180 -83.75 -44.44 14.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.135 -175.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.1 104.5 8.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.264 -177.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -81.2 150.96 30.92 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.433 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.43 ' CD ' ' H ' ' A' ' 138' ' ' GLN . 5.0 pm0 -81.89 41.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.272 0.558 . . . . 0.0 110.863 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.247 0.95 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.104 0.478 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.493 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 1.1 mp0 -57.6 103.23 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.609 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.2 p 42.68 74.13 0.12 Allowed 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.684 0.615 . . . . 0.0 111.203 -173.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -86.19 57.62 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.412 0.625 . . . . 0.0 110.159 -174.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.6 m -135.91 140.42 44.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.975 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -111.29 143.61 28.79 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.26 126.13 20.63 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.958 2.439 . . . . 0.0 113.222 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.9 ttt -116.51 96.41 5.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.534 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 58.35 -164.71 0.19 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.066 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tt 53.24 75.5 0.25 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.82 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.1 t -127.76 90.86 3.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.021 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.3 t -73.13 145.12 46.64 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 28.0 ttt -77.3 80.73 3.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.137 0.494 . . . . 0.0 110.817 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.1 m -75.9 91.12 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.916 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.31 -105.33 0.67 Allowed Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.168 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -137.9 129.32 27.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.592 0.234 . . . . 0.0 110.916 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 61.86 31.97 18.13 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.457 174.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.19 -89.48 0.35 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 171.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.16 -67.78 1.76 Allowed Glycine 0 CA--C 1.521 0.466 0 C-N-CA 121.315 -0.469 . . . . 0.0 114.075 173.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -162.33 -144.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -173.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 73.55 6.72 5.06 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.626 0.771 . . . . 0.0 111.737 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.6 mt -87.52 66.24 8.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.122 0.487 . . . . 0.0 109.725 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -77.6 105.26 8.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.865 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.45 176.22 35.19 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.006 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -90.38 28.98 1.33 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.533 0.206 . . . . 0.0 111.246 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 72.32 2.36 4.3 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.88 175.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.78 -22.8 71.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.802 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.1 m -132.0 97.72 4.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.884 0.373 . . . . 0.0 110.586 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.12 -58.55 3.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.413 0.625 . . . . 0.0 109.427 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -171.48 171.95 5.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 24.2 pttt -120.64 110.69 16.72 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.989 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.545 ' HB2' ' HG ' ' A' ' 35' ' ' LEU . 4.1 m-20 -80.68 134.45 35.86 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 167.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.7 tpp -62.92 -16.45 59.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.278 0.561 . . . . 0.0 109.662 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 34' ' ' ARG . 58.4 mtt180 -61.1 -34.15 74.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.634 174.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.545 ' HG ' ' HB2' ' A' ' 32' ' ' ASP . 7.7 mt -78.43 -46.81 18.9 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.18 -176.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.85 -26.02 68.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.264 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -74.89 -47.87 27.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.359 177.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -59.13 -38.55 79.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.481 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.08 92.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.629 178.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.477 HG11 HG13 ' A' ' 107' ' ' VAL . 53.4 t -64.96 -51.02 71.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.225 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.549 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 79.7 t -55.64 -43.54 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.632 -177.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -81.8 -3.83 54.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.08 -52.48 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.071 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.759 ' HA ' ' HZ ' ' A' ' 122' ' ' PHE . 35.0 m -93.94 8.81 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 65.1 tp -57.65 -30.62 65.55 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.036 0.446 . . . . 0.0 111.211 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -72.01 -9.56 58.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.589 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.53 -14.85 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.663 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 29.9 m -127.2 -171.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.499 0.19 . . . . 0.0 111.318 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -82.41 -58.22 3.02 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.208 0.528 . . . . 0.0 110.157 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -143.2 147.11 34.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.469 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.492 ' HE2' ' HB ' ' A' ' 68' ' ' VAL . 14.8 ttt -151.73 135.61 16.44 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -151.77 134.93 15.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.431 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 p -75.93 126.2 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.442 ' CB ' HD21 ' A' ' 57' ' ' LEU . 8.8 m -74.48 123.35 24.56 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.552 0.692 . . . . 0.0 111.846 -171.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -99.29 13.69 32.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.307 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 p -114.17 22.51 13.75 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.416 0.627 . . . . 0.0 110.435 -174.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.583 ' HG ' ' HB2' ' A' ' 65' ' ' TYR . 4.3 mm? -122.77 -155.22 0.64 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.463 -175.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.499 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 7.5 ptp85 -111.32 13.74 21.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.487 -176.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 3.2 m -53.78 131.98 40.54 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.786 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.25 -70.6 0.16 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.599 0.714 . . . . 0.0 111.455 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -110.14 -68.97 0.89 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.277 -165.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 81' ' ' THR . 13.4 t70 -116.78 -2.71 11.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.234 0.54 . . . . 0.0 110.735 -175.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 11.2 p -122.35 131.65 72.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.675 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.44 129.8 18.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.38 175.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.583 ' HB2' ' HG ' ' A' ' 57' ' ' LEU . 37.6 m-85 -93.35 121.61 34.91 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.481 HG23 ' HE3' ' A' ' 51' ' ' MET . 60.0 mt -113.53 131.75 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.081 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.459 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 8.3 m120 -101.21 113.14 25.92 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.301 0.572 . . . . 0.0 110.005 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.492 ' HB ' ' HE2' ' A' ' 51' ' ' MET . 7.2 p -121.75 140.95 44.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.425 -177.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.663 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 30.5 tt0 -115.22 110.34 19.32 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.618 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 68.0 p -66.49 171.9 4.58 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -75.38 1.47 13.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.054 0.454 . . . . 0.0 110.979 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -96.8 6.02 49.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 67.34 22.05 9.62 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.279 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.05 124.01 34.41 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.38 117.24 29.98 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -112.53 132.06 55.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.94 0.4 . . . . 0.0 110.723 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.08 101.95 14.48 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 171.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.7 mt -94.63 134.96 36.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.191 0.519 . . . . 0.0 111.235 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 27.3 tt0 -94.35 104.09 16.08 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.54 177.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.2 tp -91.86 109.52 20.85 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.553 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 79.7 p -130.23 169.16 15.75 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.01 -28.91 68.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.957 0.408 . . . . 0.0 110.412 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.6 -24.19 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.323 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.63 -179.74 22.47 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.086 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.497 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 6.0 mp -109.99 130.69 55.5 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 103' ' ' TYR . 23.4 mtmm -120.58 160.59 22.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 50.3 t -89.59 113.14 25.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 19.3 m -115.55 23.14 5.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.667 0.27 . . . . 0.0 111.232 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 172.15 150.72 7.4 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.051 -1.071 . . . . 0.0 112.762 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -112.02 28.57 8.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.975 0.417 . . . . 0.0 110.785 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.429 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . . . -157.87 169.64 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.394 177.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.459 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 56.4 m-85 -69.19 135.02 50.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.024 178.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p30 46.39 24.6 0.31 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.183 0.993 . . . . 0.0 113.237 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 48.7 tt0 -111.31 116.95 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.167 176.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.623 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 66.1 t -98.97 108.66 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.154 0.502 . . . . 0.0 110.615 176.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -83.03 97.45 8.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -71.7 -13.82 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.42 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -81.23 -10.78 59.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.95 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.77 136.34 48.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.988 0.423 . . . . 0.0 111.132 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -124.86 18.77 8.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.532 -177.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.475 ' O ' ' HD2' ' A' ' 86' ' ' LYS . 4.2 t -55.03 135.45 67.48 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.884 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 9.3 Cg_exo -70.5 158.2 56.68 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.948 2.432 . . . . 0.0 112.948 -177.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.517 ' HA ' ' HG2' ' A' ' 86' ' ' LYS . 17.3 m-85 -63.17 132.76 52.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.943 175.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -101.34 151.44 21.9 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.748 172.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' A' ' 105' ' ' GLU . 1.4 mp0 -54.96 -66.96 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.531 -173.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.2 p -130.3 167.79 17.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.25 -175.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.477 HG13 HG11 ' A' ' 40' ' ' VAL . 14.7 p -72.06 -22.57 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.975 0.417 . . . . 0.0 109.928 176.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -69.54 -49.89 50.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.2 p -75.07 -26.87 59.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.975 0.417 . . . . 0.0 110.569 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.67 -50.72 41.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.746 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.1 -25.48 68.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.176 0.512 . . . . 0.0 109.861 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.68 -41.17 94.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.195 176.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.4 p -76.63 -15.12 59.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.215 -177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.458 ' HB3' HG23 ' A' ' 70' ' ' THR . 46.7 mt -102.17 -19.03 15.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.201 -173.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.618 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 70.8 m -155.61 110.61 2.19 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.294 176.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 29.4 Cg_endo -63.97 -20.85 68.47 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.587 2.191 . . . . 0.0 111.848 178.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.1 -10.87 60.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.083 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -56.68 -33.27 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.888 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -75.88 -26.96 57.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.279 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -91.09 -0.04 57.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.626 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.81 -67.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.646 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.759 ' HZ ' ' HA ' ' A' ' 44' ' ' VAL . 75.5 m-85 -78.82 -33.56 46.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.494 -177.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.46 -43.83 90.31 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.988 175.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -69.99 -32.57 70.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.017 0.437 . . . . 0.0 110.24 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.1 -46.45 64.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.043 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.59 -38.83 87.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.201 0.524 . . . . 0.0 109.829 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.412 HD11 ' C ' ' A' ' 127' ' ' LEU . 1.6 tm? -56.23 -42.49 77.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.632 176.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.93 -28.41 70.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.492 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -65.97 -25.68 67.22 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.695 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 134' ' ' LYS . 8.4 mp -92.97 -38.18 11.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.293 176.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.31 -41.29 94.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.01 -37.72 88.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.364 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.507 ' O ' HD21 ' A' ' 133' ' ' LEU . 5.8 tt -67.25 -31.23 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.74 178.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 130' ' ' LEU . 74.6 mmtt -63.77 -41.74 97.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.368 175.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -75.74 -31.28 59.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.148 0.499 . . . . 0.0 110.679 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -138.2 97.62 3.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.537 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 140.61 164.71 10.02 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.91 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -116.55 93.72 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.174 0.511 . . . . 0.0 111.056 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 56.3 m . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.573 176.254 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 tpt . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 66.15 129.23 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.591 0.756 . . . . 0.0 111.146 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 m 62.14 32.74 17.29 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.852 0.834 . . . . 0.0 109.132 -175.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.89 125.77 22.86 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.947 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.5 m -86.87 -4.72 59.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.892 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -97.65 109.54 51.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.339 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -92.19 7.89 3.04 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.983 2.455 . . . . 0.0 113.499 -175.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.9 105.66 8.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.306 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -99.81 131.46 45.77 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.126 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tt -81.12 -63.73 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.6 m -152.29 85.91 1.28 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.1 m 61.3 -86.5 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.297 -172.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -131.61 -76.05 0.52 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.461 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 57.5 m -161.28 -179.09 7.14 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 176.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.88 78.04 1.08 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.332 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' A' ' 14' ' ' SER . 65.3 m-85 -124.26 173.74 8.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.73 0.3 . . . . 0.0 110.298 178.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -93.03 177.85 5.94 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.467 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -73.97 -43.43 58.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.015 0.436 . . . . 0.0 110.446 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.09 -162.94 46.81 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.475 -177.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 m -134.58 -77.49 0.46 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.927 0.364 . . . . 0.0 110.357 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -145.15 128.0 16.37 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.494 HD13 ' HE2' ' A' ' 25' ' ' PHE . 3.9 mm? 63.03 -165.84 0.23 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.593 0.558 . . . . 0.0 110.163 -173.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -128.59 -63.63 0.97 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.66 0.267 . . . . 0.0 110.52 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.83 106.75 0.2 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.894 -1.146 . . . . 0.0 113.28 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.494 ' HE2' HD13 ' A' ' 22' ' ' LEU . 95.3 m-85 -110.16 16.97 21.45 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 173.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.402 ' HB3' ' H ' ' A' ' 27' ' ' GLY . 13.8 mp0 -92.36 -145.51 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.938 -176.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' H ' ' HB3' ' A' ' 26' ' ' GLU . . . 102.17 -125.23 8.46 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 110.104 -1.199 . . . . 0.0 110.104 -173.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 m 62.34 108.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 174.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -56.73 130.12 44.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.161 172.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -48.64 97.48 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.737 0.648 . . . . 0.0 112.385 -172.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -127.73 30.75 5.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.192 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 4.3 m-20 -54.42 128.89 33.72 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.725 177.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 33' ' ' MET . 0.9 OUTLIER -60.95 -35.21 76.15 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -167.105 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.7 ttt180 -73.26 -21.77 60.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.131 -175.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' A' ' 32' ' ' ASP . 22.7 mt -76.83 -45.07 29.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.191 0.52 . . . . 0.0 109.711 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 40' ' ' VAL . 61.4 mm-40 -68.38 -18.79 64.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.191 173.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' HB3' HD13 ' A' ' 66' ' ' ILE . . . -73.65 -45.35 53.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.127 177.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 56.1 mm-40 -55.31 -40.27 70.92 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.035 175.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.92 83.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.08 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 36' ' ' GLU . 90.6 t -59.48 -45.56 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.302 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 97.4 t -58.22 -35.85 55.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 111.318 -178.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -84.12 -27.81 27.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.056 0.455 . . . . 0.0 110.773 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.71 -50.76 12.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.216 -172.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 m -106.26 15.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 51.5 tp -56.47 -38.89 72.31 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -74.44 -3.58 31.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -174.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.55 -13.84 27.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.942 0.401 . . . . 0.0 110.76 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 33.5 m -128.43 -168.92 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -98.46 -37.0 9.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.33 -174.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -167.68 128.56 1.45 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.745 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.491 ' HG2' HG23 ' A' ' 68' ' ' VAL . 82.0 mtp -119.14 141.79 48.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.634 0.254 . . . . 0.0 110.406 177.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -155.84 120.22 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 -176.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.64 141.66 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.433 ' HB3' HD12 ' A' ' 57' ' ' LEU . 19.6 m -62.44 158.08 18.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.434 0.635 . . . . 0.0 112.519 -171.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -132.6 -6.47 3.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.464 -176.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.536 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 50.1 m -110.81 7.34 21.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.953 0.406 . . . . 0.0 111.308 -176.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 54' ' ' SER . 4.9 mp -122.22 -153.12 0.53 Allowed 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -123.0 143.41 49.95 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 120.925 0.393 . . . . 0.0 110.377 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.5 p -128.68 97.89 4.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.805 174.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.84 5.91 48.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.991 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 70.58 0.65 3.35 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.535 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -94.63 -17.35 22.38 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 162.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.1 p -144.69 139.52 23.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 113.94 -1.482 . . . . 0.0 109.195 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.92 118.03 10.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.781 0.324 . . . . 0.0 110.511 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -86.82 123.15 31.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.378 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 37' ' ' ALA . 60.9 mt -118.97 134.36 62.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -96.96 134.54 40.18 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.491 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.5 p -134.3 113.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.711 0.767 . . . . 0.0 111.058 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -95.55 109.65 21.84 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 173.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.588 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 43.1 p -73.48 176.06 6.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.54 -177.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 85.3 mttt -75.5 0.15 18.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 110.54 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -88.88 0.99 56.08 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 171.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 66.79 19.78 10.68 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.376 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -96.42 133.37 40.92 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -96.1 111.07 23.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -108.83 126.1 52.68 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.824 0.345 . . . . 0.0 110.118 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.447 ' O ' HG21 ' A' ' 88' ' ' VAL . 12.9 t -96.34 131.7 42.6 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 80.0 mt -121.71 137.64 54.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.216 0.531 . . . . 0.0 111.376 -174.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HG2' HG22 ' A' ' 81' ' ' THR . 43.9 tt0 -93.76 101.57 13.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.9 tp -81.66 115.69 21.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.735 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.475 HG22 ' HG2' ' A' ' 79' ' ' GLU . 74.3 p -127.32 178.36 6.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.356 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -74.8 -9.97 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.36 0.6 . . . . 0.0 109.455 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.41 -13.37 30.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.892 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.96 -165.9 24.76 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.732 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 mp -109.07 118.77 37.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.687 0.279 . . . . 0.0 110.273 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.588 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 52.3 tttp -113.33 142.1 46.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 -177.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.561 ' HB ' ' HB ' ' A' ' 101' ' ' THR . 44.0 t -74.83 125.77 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.671 ' HB ' ' CB ' ' A' ' 95' ' ' VAL . 21.7 m -105.98 -25.81 3.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.39 169.73 42.6 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.501 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -102.04 21.45 14.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.756 0.312 . . . . 0.0 110.462 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.8 165.14 27.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.041 0.448 . . . . 0.0 110.927 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.17 124.31 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.147 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 56' ' ' SER . 24.0 m-20 64.29 34.49 10.64 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.579 0.549 . . . . 0.0 110.915 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.737 HE21 ' HA ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -122.72 127.04 48.71 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -175.429 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.671 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 2.6 p -136.46 137.88 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.92 170.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -101.91 136.68 41.33 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.78 -32.46 73.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.814 -173.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -107.05 17.96 22.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.871 0.367 . . . . 0.0 111.515 -175.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 mt -79.59 106.07 11.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 0.0 110.218 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -92.43 28.38 1.98 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.523 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.561 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -54.54 134.74 63.23 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.209 176.398 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 35.3 Cg_exo -60.39 166.63 9.14 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 123.223 2.615 . . . . 0.0 113.332 -175.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.588 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -133.85 151.16 51.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.246 178.687 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -117.82 174.52 6.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.027 0.441 . . . . 0.0 111.701 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 105' ' ' GLU . 26.9 mp0 -66.7 -64.08 0.93 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.807 -176.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 64.6 p -123.14 176.26 6.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.069 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 p -68.53 -25.99 32.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.034 0.445 . . . . 0.0 109.874 176.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -66.88 -56.76 8.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.709 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.3 p -71.68 -6.66 42.74 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.934 0.397 . . . . 0.0 111.375 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.7 tp -96.23 -55.42 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.955 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' A' ' 118' ' ' TYR . 15.5 tp -63.05 -25.31 68.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.351 0.596 . . . . 0.0 109.821 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -63.13 -31.22 72.31 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.968 177.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 43.1 p -91.38 -2.52 57.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.898 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 76.3 mt -115.62 -60.24 1.9 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.107 -171.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 67.0 m -99.41 119.04 61.27 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -170.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -60.53 -31.59 92.56 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.815 2.344 . . . . 0.0 111.307 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.437 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -65.06 -31.57 72.85 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.472 ' CD1' HD23 ' A' ' 111' ' ' LEU . 81.5 t80 -61.0 -38.17 85.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.571 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 119' ' ' ARG . 8.5 mmm180 -59.42 -46.96 87.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.469 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -69.91 -42.8 72.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.82 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.16 90.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.232 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -67.4 -42.22 83.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.167 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.74 -36.97 92.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.175 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -55.72 -41.81 74.37 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.938 0.399 . . . . 0.0 110.919 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.75 84.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.972 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.23 -46.07 61.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.558 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 128' ' ' GLN . 4.4 pp -69.54 -26.97 64.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.674 0.273 . . . . 0.0 111.319 -177.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.412 ' N ' HD12 ' A' ' 127' ' ' LEU . 19.9 tm0? -75.36 -25.85 58.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.156 0.503 . . . . 0.0 109.762 178.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -66.26 -23.6 66.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.97 -51.87 62.29 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.936 0.398 . . . . 0.0 110.311 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 7.8 pt-20 -71.03 -30.43 66.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.666 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.1 68.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.027 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 98.1 mt -63.76 -44.07 94.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 0.0 110.731 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -80.74 -19.18 45.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.842 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 131' ' ' GLU . 91.9 mtt-85 -77.42 -20.75 54.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.078 0.466 . . . . 0.0 109.863 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -87.73 -53.43 4.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.753 172.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 178.88 -106.26 0.21 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.913 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -153.91 -169.38 3.25 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -173.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.541 178.475 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -150.13 -25.34 0.25 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.07 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.7 p -72.77 -70.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.386 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 55.49 68.39 0.87 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.205 0.526 . . . . 0.0 109.844 -175.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.4 t -90.36 29.52 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.291 -172.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . 3.8 p-10 43.4 93.09 0.05 OUTLIER Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 124.26 1.024 . . . . 0.0 113.353 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 6' ' ' ASN . 38.1 Cg_endo -67.02 136.72 42.05 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.623 2.216 . . . . 0.0 112.116 178.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mmm -79.41 -36.52 38.95 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -83.55 104.28 13.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.224 174.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -80.0 -35.57 37.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.997 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m 60.47 13.14 3.92 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.589 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.648 ' HB3' ' HZ ' ' A' ' 16' ' ' PHE . 50.5 m -149.48 106.02 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.1 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 84.6 mtp -108.61 166.84 10.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.394 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.5 m -58.64 131.36 50.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.46 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.44 -43.08 0.43 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.885 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.648 ' HZ ' ' HB3' ' A' ' 12' ' ' SER . 42.3 p90 -98.34 33.96 2.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.884 0.373 . . . . 0.0 111.841 -174.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -88.67 28.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.72 0.295 . . . . 0.0 111.444 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.9 113.34 2.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.256 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.94 -175.7 46.46 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.591 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.701 ' HA ' ' HB2' ' A' ' 23' ' ' ASN . 45.7 m 60.52 32.93 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.234 0.54 . . . . 0.0 110.726 -177.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 78.7 mm-40 -71.15 107.89 4.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.449 176.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 76.0 mt 70.3 25.3 4.54 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.875 0.734 . . . . 0.0 110.314 -171.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.701 ' HB2' ' HA ' ' A' ' 20' ' ' SER . 19.1 m120 -123.89 108.55 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.064 177.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.33 29.26 5.47 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.628 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -95.48 102.42 14.22 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 176.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' A' ' 28' ' ' THR . 15.6 tp10 -133.78 155.28 50.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.597 -172.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.28 -25.87 62.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.095 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.446 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 25.2 m -132.68 123.83 27.06 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 176.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -78.76 174.68 11.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 69.8 mtm -85.04 90.11 7.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.188 0.518 . . . . 0.0 109.836 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -85.44 158.12 20.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.816 -175.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 66.7 t0 -106.88 121.53 44.6 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 175.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.424 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 33.0 tpp -61.68 -22.74 65.58 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.573 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 ttp85 -63.94 -28.2 69.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.28 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.515 ' HG ' ' HB3' ' A' ' 32' ' ' ASP . 12.7 mt -71.4 -48.9 46.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.19 0.519 . . . . 0.0 109.933 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 40' ' ' VAL . 40.1 mt-10 -65.87 -26.76 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.318 174.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' HB1' HD12 ' A' ' 66' ' ' ILE . . . -67.45 -53.01 32.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.674 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -58.55 -35.87 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.412 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.3 -48.62 79.05 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.661 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.492 ' O ' HG21 ' A' ' 44' ' ' VAL . 78.6 t -62.9 -49.76 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.027 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 69.0 t -53.81 -47.88 62.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.423 -178.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -70.83 -35.3 72.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.378 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.58 -50.16 22.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.333 -0.394 . . . . 0.0 112.032 -172.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 40' ' ' VAL . 34.7 m -95.6 11.98 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.664 -174.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 46.9 tp -59.02 -29.38 67.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.515 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -75.55 -10.45 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 111.098 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.37 4.88 41.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.115 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.515 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.1 m -140.39 179.98 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -90.35 -39.77 12.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.013 0.435 . . . . 0.0 110.302 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 56.2 t30 -153.17 154.28 34.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.573 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 16.1 ttt -162.74 127.37 3.11 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -157.84 136.93 11.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.284 -176.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.481 HG12 HG12 ' A' ' 66' ' ' ILE . 17.8 m -60.47 136.24 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.448 ' CB ' HD12 ' A' ' 57' ' ' LEU . 16.1 m -52.32 -49.05 64.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -170.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.6 tttt 68.26 6.44 5.3 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.818 0.818 . . . . 0.0 109.869 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.4 m -127.6 23.62 6.27 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 14.9 mt -151.58 123.0 7.83 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 113.438 -1.71 . . . . 0.0 108.906 -171.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HD3' ' H ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -63.42 112.54 2.79 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.495 -170.541 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.1 p -104.14 95.03 5.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.466 170.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.51 -76.34 0.17 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.924 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -140.37 -64.09 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.596 -176.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.31 19.5 19.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.967 0.413 . . . . 0.0 111.238 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.9 p -141.27 129.21 22.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.096 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.28 125.24 14.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.578 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.504 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 97.3 m-85 -95.15 126.1 40.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.713 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.481 HG12 HG12 ' A' ' 53' ' ' VAL . 50.7 mt -124.96 144.3 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.72 -176.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -106.24 124.46 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.455 HG22 ' HG3' ' A' ' 51' ' ' MET . 11.3 p -121.49 147.21 25.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 -176.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.515 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 43.7 tt0 -134.44 104.51 6.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.454 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 72.6 p -65.77 175.18 2.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.645 -175.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' HD3' ' CB ' ' A' ' 117' ' ' ALA . 50.2 mtpt -67.79 -19.82 65.13 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.986 0.422 . . . . 0.0 110.608 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -80.47 2.87 23.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.985 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 69.79 21.08 6.57 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.587 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.47 130.21 35.85 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.623 176.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 91.1 mtm180 -100.96 132.91 46.14 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.044 0.449 . . . . 0.0 110.795 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 72.6 m-85 -129.25 152.15 49.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.239 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.9 t -111.54 122.24 47.3 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.447 HD12 HD21 ' A' ' 85' ' ' LEU . 88.2 mt -111.06 127.72 55.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.285 0.564 . . . . 0.0 111.688 -173.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -95.31 95.0 8.19 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.736 173.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.586 HD12 ' HG ' ' A' ' 85' ' ' LEU . 50.7 tp -82.47 115.16 21.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.716 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.9 p -135.16 -166.97 1.92 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.864 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.51 -19.69 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.977 0.418 . . . . 0.0 110.553 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.4 3.18 55.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.775 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.43 -143.25 16.42 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.327 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.586 ' HG ' HD12 ' A' ' 80' ' ' LEU . 5.5 mp -101.86 116.17 32.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.046 0.451 . . . . 0.0 110.271 -177.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.474 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 34.2 tttt -116.09 136.47 52.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.73 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.538 ' HB ' HG22 ' A' ' 101' ' ' THR . 59.9 t -85.97 110.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.806 0.336 . . . . 0.0 110.248 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.507 ' HB ' ' HA ' ' A' ' 95' ' ' VAL . 3.6 m -91.63 -5.1 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.506 ' HA2' HD21 ' A' ' 99' ' ' LEU . . . 169.47 164.64 25.52 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.47 178.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 8.3 p90 -118.57 75.82 1.05 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.967 0.889 . . . . 0.0 110.298 176.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.88 -179.32 3.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.884 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -88.5 107.38 18.85 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 64.55 78.74 0.27 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.445 -174.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -146.57 108.59 4.39 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.507 ' HA ' ' HB ' ' A' ' 88' ' ' VAL . 77.9 t -124.31 121.35 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.972 0.415 . . . . 0.0 112.041 -173.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 6.5 t70 -146.66 142.79 28.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.957 170.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -89.82 -1.14 57.92 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.404 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -99.02 0.57 44.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.506 HD21 ' HA2' ' A' ' 89' ' ' GLY . 8.5 mp -74.98 121.84 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.474 -0.49 . . . . 0.0 109.775 171.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -85.56 75.09 10.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.163 0.506 . . . . 0.0 111.171 -174.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.538 HG22 ' HB ' ' A' ' 87' ' ' VAL . 40.9 p -111.08 134.18 21.11 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.967 176.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.83 125.37 15.25 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.674 2.249 . . . . 0.0 112.686 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.474 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 85.2 m-85 -61.72 122.88 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.745 174.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -109.55 140.65 43.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.955 0.407 . . . . 0.0 110.284 175.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -76.64 -27.96 55.87 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.76 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 46.0 p -131.46 150.07 52.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.758 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.26 -22.5 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.424 178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.472 ' HA ' ' OH ' ' A' ' 118' ' ' TYR . 25.8 m-85 -56.7 -63.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 -178.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.482 ' O ' HG21 ' A' ' 113' ' ' THR . 7.6 m -70.11 -19.66 63.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.428 -176.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.5 tp -80.57 -54.79 5.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 111.068 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.507 HD21 ' CD1' ' A' ' 118' ' ' TYR . 14.6 tp -63.87 -25.06 67.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.087 0.47 . . . . 0.0 109.874 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.96 -35.5 80.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.318 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.482 HG21 ' O ' ' A' ' 109' ' ' SER . 58.1 p -74.18 -8.25 55.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.217 0.532 . . . . 0.0 110.877 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.2 mt -112.28 -44.23 3.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.874 -175.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.454 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 56.2 m -119.01 122.74 29.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.636 -178.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.35 -18.33 26.5 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.482 2.121 . . . . 0.0 110.942 172.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.437 ' HA ' ' CD ' ' A' ' 120' ' ' GLU . . . -73.19 -10.14 59.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.061 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.507 ' CD1' HD21 ' A' ' 111' ' ' LEU . 74.8 t80 -64.4 -51.28 64.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.283 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -72.74 -19.85 61.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.128 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.437 ' CD ' ' HA ' ' A' ' 117' ' ' ALA . 89.5 mt-10 -68.17 -54.87 14.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.1 90.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.887 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -64.55 -40.8 96.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.977 176.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.4 -38.82 96.37 Favored Glycine 0 C--O 1.22 -0.74 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.816 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -60.03 -34.3 73.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.546 0.212 . . . . 0.0 111.404 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.35 -43.72 66.42 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.842 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.23 -32.66 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.566 0.698 . . . . 0.0 109.642 175.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.67 -54.17 49.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.0 174.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.43 ' HA ' ' HB3' ' A' ' 131' ' ' GLU . 25.4 mt-30 -68.73 -25.41 64.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.719 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -63.03 -45.84 90.38 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 174.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.9 tt -70.81 -32.54 69.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.944 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.771 ' HG3' ' HD2' ' A' ' 134' ' ' LYS . 11.9 tt0 -67.2 -16.12 64.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.99 -179.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.48 -18.14 61.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.32 175.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 89.5 mt -94.17 -22.19 18.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.771 ' HD2' ' HG3' ' A' ' 131' ' ' GLU . 97.9 mttt -60.92 -54.1 49.2 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.328 0.585 . . . . 0.0 110.96 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.727 ' HG3' ' HB2' ' A' ' 139' ' ' SER . 3.5 ttp180 -90.08 15.99 9.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.396 -166.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -77.97 98.65 5.75 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.18 -70.2 0.21 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.199 -1.161 . . . . 0.0 110.199 -171.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -157.48 151.5 24.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 172.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.727 ' HB2' ' HG3' ' A' ' 135' ' ' ARG . 16.3 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.494 -0.765 . . . . 0.0 109.75 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 14.2 t0 . . . . . 0 C--O 1.235 0.315 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.513 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 18.7 tpp -70.41 -32.6 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.758 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -66.86 -41.9 86.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.152 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 21.4 tp -50.68 -59.8 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.031 174.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.4 mm-40 -61.32 -33.86 74.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.441 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -64.24 -54.19 37.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.23 -177.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.46 -25.04 67.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.4 -44.64 67.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.531 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 36' ' ' GLU . 58.6 t -64.18 -47.85 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.114 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 37' ' ' ALA . 79.1 t -54.36 -43.96 64.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.596 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -66.56 -38.85 87.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.419 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -75.62 -35.93 60.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.405 -170.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -105.53 8.67 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.42 -29.24 68.86 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -70.1 -22.55 63.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -172.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.13 8.44 42.99 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -171.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.522 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 34.8 m -140.35 -177.06 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -80.22 -55.58 4.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.158 0.504 . . . . 0.0 110.154 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -153.43 136.62 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.138 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.7 ttt -138.12 135.42 35.73 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -160.99 157.67 26.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.721 0.296 . . . . 0.0 110.466 -175.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.19 137.38 23.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.075 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.3 m -68.82 115.54 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.218 0.532 . . . . 0.0 110.587 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 75.3 tttt -96.6 3.68 52.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.497 -176.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -104.61 12.56 32.88 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.347 -173.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -135.12 -93.82 0.28 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.696 -176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -176.76 159.43 1.79 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.408 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.5 p -164.88 112.89 1.04 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -143.6 89.65 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.058 -174.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 33' ' ' MET . 32.1 m-20 68.13 -71.28 0.11 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.061 168.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -80.27 -28.55 38.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.081 0.467 . . . . 0.0 111.204 -175.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -135.18 138.28 48.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.082 0.467 . . . . 0.0 111.365 -173.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.34 133.02 20.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.998 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -94.69 128.97 41.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.066 0.46 . . . . 0.0 110.739 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.0 mt -119.44 155.86 21.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.445 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -128.51 139.14 52.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.065 0.46 . . . . 0.0 110.056 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.78 131.97 66.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.932 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.522 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 45.7 tt0 -120.94 108.96 14.51 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.166 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.491 HG21 ' HB2' ' A' ' 115' ' ' SER . 68.8 p -72.22 -179.23 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.836 -173.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HD3' ' HB1' ' A' ' 117' ' ' ALA . 7.2 mtpm? -67.87 -25.53 65.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.112 -175.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -94.42 18.06 11.88 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.941 0.401 . . . . 0.0 110.642 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.88 7.36 5.45 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.409 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -72.13 132.74 44.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HD3' ' HB2' ' A' ' 92' ' ' PHE . 99.3 mtt180 -113.92 136.22 53.13 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.099 0.476 . . . . 0.0 111.222 -174.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -129.72 132.7 46.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.31 175.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.0 t -103.39 129.75 50.55 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 67.6 mt -118.45 128.69 54.84 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.129 0.49 . . . . 0.0 111.45 -171.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -93.65 98.35 11.08 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.513 ' HG ' ' SD ' ' A' ' 33' ' ' MET . 40.1 tp -81.23 121.95 26.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.91 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -142.84 -174.92 4.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.935 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -13.75 62.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.842 0.354 . . . . 0.0 110.962 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.28 -3.28 58.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.513 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.71 -147.0 16.61 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.834 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.462 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.2 mp -104.04 114.48 28.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 0.0 110.082 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.752 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 55.3 tttt -112.71 113.14 25.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.541 -176.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.646 HG13 ' HB ' ' A' ' 101' ' ' THR . 4.0 p -66.27 123.55 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.021 0.439 . . . . 0.0 109.952 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.508 ' HB ' HG13 ' A' ' 95' ' ' VAL . 6.2 m -119.32 4.63 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.435 -177.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.576 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -177.19 160.01 26.67 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.505 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -121.16 29.48 7.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.436 0.636 . . . . 0.0 110.138 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 94' ' ' GLN . . . -147.27 167.08 25.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.449 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.536 ' HB2' ' HD3' ' A' ' 75' ' ' ARG . 35.2 t80 -69.24 116.67 9.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.728 0.299 . . . . 0.0 110.903 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 65.14 30.97 11.26 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.903 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.576 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 6.2 tp60 -99.26 112.37 24.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.223 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.508 HG13 ' HB ' ' A' ' 88' ' ' VAL . 95.6 t -131.96 116.01 28.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.152 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.628 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 25.8 t70 -106.93 137.13 45.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.329 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.76 -10.15 59.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.29 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -104.1 1.57 31.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.628 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 19.6 mt -76.24 112.95 13.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.377 0.608 . . . . 0.0 110.981 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.14 30.46 1.9 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.273 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.646 ' HB ' HG13 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -66.02 132.88 94.69 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.619 -178.639 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.04 136.94 54.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.221 2.614 . . . . 0.0 113.936 -173.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.752 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 1.2 p90 -92.04 144.24 25.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.566 175.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -106.31 168.97 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.612 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.514 ' HG3' HG23 ' A' ' 106' ' ' THR . 16.8 tp10 -69.44 -64.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.903 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.514 HG23 ' HG3' ' A' ' 105' ' ' GLU . 81.4 p -118.26 176.63 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 -177.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.1 p -71.51 -26.84 27.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.348 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -65.15 -58.82 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.61 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.2 m -69.62 -4.19 18.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.667 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 54.9 tp -96.62 -60.76 1.54 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 0.0 110.812 177.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 114' ' ' LEU . 18.0 tp -69.0 -20.28 64.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.121 -173.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.15 -25.67 65.39 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 122.249 1.024 . . . . 0.0 108.981 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.89 -19.61 18.72 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.543 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 89.7 mt -84.49 -29.93 25.61 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.271 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.491 ' HB2' HG21 ' A' ' 70' ' ' THR . 38.6 t -145.19 116.4 5.13 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.391 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.14 -25.63 72.87 Favored 'Trans proline' 0 CA--C 1.527 0.13 0 C-N-CA 122.523 2.149 . . . . 0.0 111.309 175.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.44 ' HB1' ' HD3' ' A' ' 71' ' ' LYS . . . -66.44 -33.06 74.87 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.574 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -60.97 -38.82 87.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.072 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -67.69 -41.69 83.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.33 -37.55 83.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.338 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.42 -39.12 93.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.541 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 85.3 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.996 175.819 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.599 ' HB2' ' CB ' ' A' ' 35' ' ' LEU . 2.8 m-20 . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.659 0.266 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.8 tpp -65.7 -32.13 73.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.243 0.544 . . . . 0.0 110.155 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.52 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -72.38 -32.49 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.93 178.398 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.599 ' CB ' ' HB2' ' A' ' 32' ' ' ASP . 17.7 tp -57.08 -57.06 14.21 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.639 176.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.27 -34.16 77.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.474 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -61.45 -51.69 67.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.465 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.71 -40.47 92.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.226 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.26 74.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.279 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.77 -41.56 85.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.739 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 42.0 t -53.88 -37.49 33.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.309 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -29.37 37.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.844 0.354 . . . . 0.0 111.521 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -80.34 -48.8 12.42 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -172.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -100.44 5.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.739 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 7.3 tt -62.08 -27.71 69.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 110.251 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.58 -19.79 65.12 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.307 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 118' ' ' TYR . . . -88.01 -22.89 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.197 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.528 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 26.9 m -122.45 -168.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.69 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -93.89 -48.93 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.119 0.485 . . . . 0.0 110.979 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -144.77 145.05 31.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.342 -173.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.524 ' HG2' HG23 ' A' ' 68' ' ' VAL . 73.1 mtp -142.7 116.45 9.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -145.17 134.25 22.67 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.854 HG12 HG12 ' A' ' 66' ' ' ILE . 19.5 m -73.51 153.5 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.84 0.352 . . . . 0.0 111.059 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.451 ' HB3' ' OD1' ' A' ' 93' ' ' ASP . 15.1 m -72.29 167.49 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.268 -175.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.488 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 14.1 tmtt? -130.77 -23.1 2.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -177.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.0 m -91.09 16.1 10.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.413 0.625 . . . . 0.0 110.428 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mp -127.84 -102.7 0.33 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.104 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -174.91 150.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 110.356 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 p -141.51 78.79 1.65 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.572 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.1 22.52 5.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.227 -172.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' A' ' 34' ' ' ARG . 38.6 m-20 74.62 -4.96 2.22 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.429 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -96.85 -26.92 14.92 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 169.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.6 p -142.68 147.19 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.199 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.13 125.4 11.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.685 0.279 . . . . 0.0 110.897 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -99.06 123.18 43.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.381 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.854 HG12 HG12 ' A' ' 53' ' ' VAL . 40.3 mt -115.05 133.63 60.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.56 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.442 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 13.4 m120 -103.08 116.56 32.74 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.524 HG23 ' HG2' ' A' ' 51' ' ' MET . 7.7 p -114.25 128.96 71.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.54 -175.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.6 tt0 -109.14 114.07 27.46 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.853 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.0 p -65.03 173.19 2.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.131 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 97.4 mttt -80.13 -1.14 38.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.312 0.577 . . . . 0.0 111.054 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -96.03 7.42 46.44 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 ttt-85 63.69 15.7 9.16 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.748 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -83.24 112.06 19.52 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.457 ' HD3' ' CE2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -97.08 140.43 31.61 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.899 -174.104 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 82.8 m-85 -131.43 161.11 33.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.747 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.0 m -109.62 121.96 46.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.164 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.429 HD22 HD21 ' A' ' 110' ' ' LEU . 71.9 mt -110.13 126.86 54.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.814 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -94.77 106.35 18.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.084 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.414 HD13 ' HG ' ' A' ' 85' ' ' LEU . 62.8 tp -90.98 121.81 33.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.662 -177.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -137.81 -173.41 3.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.19 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.87 -8.78 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.097 0.475 . . . . 0.0 110.454 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.53 -17.68 35.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.149 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.46 -160.29 23.04 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.209 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.414 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.8 mp -101.76 115.92 31.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.879 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 26.4 tttm -113.39 115.91 28.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.818 -176.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.66 131.09 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.205 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.484 ' HB ' HG13 ' A' ' 95' ' ' VAL . 16.3 m -124.52 -5.86 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.59 175.81 47.2 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 119.663 -1.256 . . . . 0.0 113.194 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -131.06 66.88 1.53 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.3 0.572 . . . . 0.0 110.614 -179.504 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' HA ' ' HG3' ' A' ' 75' ' ' ARG . . . -174.91 -155.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.233 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.457 ' CE2' ' HD3' ' A' ' 75' ' ' ARG . 48.5 m-85 -108.63 128.05 54.5 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' A' ' 54' ' ' SER . 10.9 m-20 59.71 28.55 18.02 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.618 0.574 . . . . 0.0 111.392 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 6.3 tp-100 -104.75 103.85 13.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 -176.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.484 HG13 ' HB ' ' A' ' 88' ' ' VAL . 94.9 t -117.4 117.49 55.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.469 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.509 ' HB3' HD13 ' A' ' 99' ' ' LEU . 47.9 t0 -125.0 137.64 54.24 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.533 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -85.75 0.4 52.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.946 0.403 . . . . 0.0 110.347 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.409 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 34.3 m-70 -82.84 -11.95 57.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.338 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 96' ' ' ASP . 7.9 mp -92.28 112.41 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.007 0.432 . . . . 0.0 110.765 176.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -100.18 28.44 4.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.313 176.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.31 118.1 36.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.387 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.85 145.27 90.29 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.896 2.398 . . . . 0.0 112.588 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.879 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 10.0 p90 -80.8 148.23 30.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.872 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -107.92 143.9 35.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -72.78 -2.27 19.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.002 0.43 . . . . 0.0 111.6 -172.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 109' ' ' SER . 0.0 OUTLIER -155.01 147.54 24.17 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.349 -176.71 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.84 -24.43 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.708 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -71.58 -45.75 61.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.009 0.433 . . . . 0.0 110.361 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.488 ' HB3' HG23 ' A' ' 106' ' ' THR . 26.3 t -67.1 -22.88 65.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.963 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.514 ' O ' HG22 ' A' ' 113' ' ' THR . 58.3 tp -86.96 -54.08 4.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.352 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.68 -21.81 66.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.9 0.381 . . . . 0.0 110.723 -175.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.65 -39.5 80.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.885 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 110' ' ' LEU . 11.3 t -91.84 -10.78 38.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 -176.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.2 mt -92.91 -24.54 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.539 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.431 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 50.2 m -148.58 123.57 4.99 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.756 0.312 . . . . 0.0 111.779 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 21.8 Cg_endo -64.13 -25.39 65.62 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.151 1.9 . . . . 0.0 110.626 170.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.569 ' HA ' ' HB2' ' A' ' 120' ' ' GLU . . . -65.9 -22.13 66.49 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.802 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.47 ' HA ' ' HB1' ' A' ' 47' ' ' ALA . 68.3 t80 -64.15 -40.65 96.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.427 0.632 . . . . 0.0 109.466 174.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -80.33 -30.5 38.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.738 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 117' ' ' ALA . 1.2 mp0 -60.71 -51.9 67.38 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.992 169.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.41 97.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.179 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 63.7 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.291 . . . . 0.0 110.387 179.803 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.588 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 66.0 t0 . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.514 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 22.9 ttm -77.14 -18.83 57.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.15 0.5 . . . . 0.0 109.881 -177.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.56 ' HB3' ' OD1' ' A' ' 32' ' ' ASP . 22.3 ttp180 -66.64 -29.92 70.07 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 172.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.588 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 5.5 tp -67.29 -50.5 60.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.774 173.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.2 mm-40 -57.69 -30.72 65.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.845 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -64.93 -54.65 27.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.263 -175.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.93 -26.71 68.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.796 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.67 -46.11 63.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.505 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 44' ' ' VAL . 55.5 t -63.94 -45.07 97.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.582 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 54.8 t -52.25 -41.3 33.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.515 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -76.78 -29.59 56.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -78.68 -53.46 7.13 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 40' ' ' VAL . 33.4 m -84.22 4.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.874 0.369 . . . . 0.0 111.306 -174.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 39.0 tp -60.46 -23.29 64.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.892 178.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -70.99 -24.71 62.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.992 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 118' ' ' TYR . . . -85.68 -21.49 28.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 111.214 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.643 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 31.2 m -119.3 -168.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.56 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 10.4 t30 -100.95 -37.36 8.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 110.689 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.537 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 9.3 t30 -149.9 153.3 36.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.859 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.582 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 14.6 ttt -162.45 139.04 7.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -160.96 139.89 10.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.481 0.181 . . . . 0.0 110.539 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.631 HG12 HG12 ' A' ' 66' ' ' ILE . 15.4 m -77.53 122.48 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.583 ' HB2' HD12 ' A' ' 57' ' ' LEU . 54.7 m -70.72 128.31 35.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.04 0.448 . . . . 0.0 111.865 -171.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.74 -7.48 59.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.788 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 m -94.54 4.79 53.41 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.536 0.684 . . . . 0.0 109.575 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' A' ' 65' ' ' TYR . 68.0 mt -122.75 -163.56 1.11 Allowed 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.164 -175.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.464 ' HB3' ' CD2' ' A' ' 65' ' ' TYR . 16.0 tpt180 -110.3 138.77 46.24 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.876 -171.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 4.6 p -157.75 84.21 0.89 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.31 0.576 . . . . 0.0 110.164 174.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.24 -64.47 1.16 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.541 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.85 -56.54 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.554 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -89.45 2.8 54.02 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.059 0.457 . . . . 0.0 110.943 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.6 p -141.6 129.4 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.558 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.23 119.06 13.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.256 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.728 ' HB3' HD13 ' A' ' 57' ' ' LEU . 47.6 m-85 -86.46 113.81 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.125 0.488 . . . . 0.0 110.829 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.631 HG12 HG12 ' A' ' 53' ' ' VAL . 41.7 mt -117.74 145.35 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.455 -175.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.454 ' OD1' ' HA ' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -113.05 133.87 54.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.025 0.44 . . . . 0.0 110.389 174.588 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 p -126.69 141.01 47.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.141 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.643 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.2 tt0 -129.08 110.81 12.35 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.417 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.468 HG21 ' HB2' ' A' ' 115' ' ' SER . 53.1 p -66.34 178.19 1.28 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.164 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HA ' ' HB2' ' A' ' 49' ' ' ASN . 97.1 mttt -69.89 -21.74 63.29 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.164 0.507 . . . . 0.0 110.074 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -75.87 -2.59 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.774 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 60.38 33.8 20.71 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.397 -173.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -92.03 117.83 30.2 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -96.59 130.3 43.81 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.945 0.402 . . . . 0.0 111.557 -169.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -120.36 144.92 47.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.824 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 38.7 t -110.43 123.62 50.22 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 175.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 67.5 mt -121.23 130.43 53.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.083 0.468 . . . . 0.0 111.757 -172.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.425 ' HG2' HG23 ' A' ' 81' ' ' THR . 35.4 tt0 -94.26 101.22 13.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.514 ' HG ' ' SD ' ' A' ' 33' ' ' MET . 64.1 tp -84.03 107.87 16.64 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.063 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.425 HG23 ' HG2' ' A' ' 79' ' ' GLU . 38.0 p -126.51 178.72 5.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.014 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -69.83 -15.23 63.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.159 0.504 . . . . 0.0 109.822 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.35 -5.22 59.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.81 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.3 -165.27 12.25 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.933 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.6 mp -98.79 125.59 44.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.899 0.38 . . . . 0.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -114.93 120.55 40.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.54 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -73.54 109.33 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.427 0.632 . . . . 0.0 110.603 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.459 HG21 HG22 ' A' ' 95' ' ' VAL . 6.3 m -100.77 12.03 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.533 -175.342 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.03 172.41 22.01 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.587 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -130.01 72.19 1.48 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.975 0.893 . . . . 0.0 110.572 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.53 160.37 10.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.327 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.454 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -72.96 116.57 13.63 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.07 0.462 . . . . 0.0 111.005 -175.812 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 69.63 29.39 4.24 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.082 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -103.87 123.68 47.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.947 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.459 HG22 HG21 ' A' ' 88' ' ' VAL . 56.7 t -132.29 108.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.825 0.345 . . . . 0.0 110.767 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.529 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 9.6 t70 -94.26 116.78 29.22 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -82.54 -3.74 56.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.009 -172.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -101.73 4.92 41.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.005 0.431 . . . . 0.0 110.84 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.529 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 73.5 mt -82.04 123.0 28.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.045 173.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -103.72 31.34 4.49 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.246 0.546 . . . . 0.0 109.937 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.488 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 5.3 p -50.23 133.51 24.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.635 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 26.9 Cg_exo -62.66 145.99 95.2 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.109 2.54 . . . . 0.0 112.724 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -81.95 151.13 27.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.423 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -121.89 139.25 53.88 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.85 -63.09 1.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.37 0.419 . . . . 0.0 111.485 -171.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.5 p -106.43 154.5 20.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.939 0.399 . . . . 0.0 111.611 -177.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.14 -30.62 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.922 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -69.04 -47.92 64.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.598 -176.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.9 m -63.93 -31.92 73.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.676 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.93 -52.22 15.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.3 tp -60.72 -28.32 68.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.206 0.527 . . . . 0.0 110.02 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.12 -37.48 87.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.307 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.9 p -83.67 -10.35 58.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.666 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.7 mt -114.36 -17.28 11.83 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -169.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.468 ' HB2' HG21 ' A' ' 70' ' ' THR . 33.4 t -146.66 129.66 8.04 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.085 0.469 . . . . 0.0 111.763 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.86 -18.86 27.81 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.702 2.268 . . . . 0.0 111.598 173.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -68.18 -29.8 68.75 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.491 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.443 ' HA ' ' HB1' ' A' ' 47' ' ' ALA . 68.7 t80 -61.32 -42.85 99.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.804 174.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -73.64 -26.46 60.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.733 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.75 -58.33 6.56 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.31 69.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.556 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 75.7 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.499 178.222 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 CA--C 1.518 -0.286 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.3 tpp -62.89 -19.98 64.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.618 0.723 . . . . 0.0 109.284 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -56.17 -32.82 64.67 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.15 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.73 -50.64 41.51 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.196 0.522 . . . . 0.0 109.994 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.61 -28.99 70.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.625 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -64.25 -50.77 66.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.454 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.75 -29.56 69.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.999 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.36 92.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.012 0.434 . . . . 0.0 109.921 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.439 HG13 HG21 ' A' ' 107' ' ' VAL . 73.1 t -62.34 -46.98 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.848 175.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 37' ' ' ALA . 58.3 t -52.3 -51.82 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.604 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -80.63 2.2 26.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.997 -174.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -100.92 -52.3 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.988 0.423 . . . . 0.0 110.485 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -89.16 2.48 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.733 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 66.6 tp -56.89 -35.88 69.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.221 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -79.63 -7.59 58.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.983 0.421 . . . . 0.0 111.166 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.56 -13.67 21.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.128 0.49 . . . . 0.0 110.834 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.1 m -122.71 -168.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.598 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.402 ' ND2' ' HA ' ' A' ' 71' ' ' LYS . 87.5 m-20 -98.02 -38.84 9.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.77 0.319 . . . . 0.0 111.079 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.549 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 50.1 t30 -145.37 148.44 33.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.519 ' HG2' HG23 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -164.9 118.62 1.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -175.034 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -162.7 162.93 27.1 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.781 0.324 . . . . 0.0 111.117 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.99 149.59 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.429 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.633 ' HA ' HD22 ' A' ' 67' ' ' ASN . 41.0 m -62.98 149.02 45.88 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.955 0.407 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -112.85 -13.09 13.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.394 -174.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.2 m -104.99 11.72 33.13 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.826 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mp -135.94 -157.2 0.77 Allowed 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.27 0.557 . . . . 0.0 110.131 -176.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -136.26 157.11 47.6 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.88 -174.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.1 p -112.27 91.17 3.56 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.81 80.96 5.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.588 -173.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.77 -83.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.06 0.85 . . . . 0.0 111.761 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.582 ' O ' ' HA ' ' A' ' 81' ' ' THR . 25.5 t70 -85.63 -22.45 27.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -171.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -105.3 126.97 60.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.282 0.563 . . . . 0.0 111.507 -176.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.26 118.88 19.09 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.39 173.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 82.1 m-85 -87.21 133.78 33.62 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.2 mt -129.96 144.86 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.426 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.633 HD22 ' HA ' ' A' ' 54' ' ' SER . 58.7 m-80 -105.35 139.09 40.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.391 . . . . 0.0 110.177 174.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.519 HG23 ' HG2' ' A' ' 51' ' ' MET . 7.4 p -133.14 134.13 57.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.061 0.458 . . . . 0.0 110.616 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 50' ' ' ASN . 36.1 tt0 -117.5 102.5 9.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.072 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.508 HG21 ' HB3' ' A' ' 115' ' ' SER . 74.1 p -70.51 -177.26 1.44 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.487 -175.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.402 ' HA ' ' ND2' ' A' ' 49' ' ' ASN . 57.0 mttm -77.97 -20.61 52.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.844 0.354 . . . . 0.0 111.115 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.56 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 1.3 mp0 -84.54 3.04 38.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 171.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 64.45 35.24 9.67 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.087 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.56 ' ND2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 m-80 -89.76 132.4 35.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 172.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -95.59 135.09 37.7 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 177.496 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.471 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 87.9 m-85 -129.41 142.03 50.9 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.778 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.0 m -104.36 119.76 39.68 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.483 HD22 HD21 ' A' ' 110' ' ' LEU . 58.6 mt -111.32 133.94 53.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.28 0.562 . . . . 0.0 111.402 -173.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 32.6 tt0 -100.95 98.27 8.76 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.037 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.517 HD13 ' HG ' ' A' ' 85' ' ' LEU . 57.7 tp -87.07 118.65 26.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.582 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 21.0 p -140.52 -172.21 3.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.375 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.44 -24.63 56.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.941 0.401 . . . . 0.0 111.075 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.95 0.84 56.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.567 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.21 -146.04 16.37 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.894 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.517 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.1 mp -107.14 123.03 47.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.453 0.644 . . . . 0.0 110.948 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 103' ' ' TYR . 62.7 tttt -113.89 150.82 33.1 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.781 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.676 ' HB ' ' OG1' ' A' ' 101' ' ' THR . 66.0 t -97.56 125.05 50.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.547 ' HB ' HG13 ' A' ' 95' ' ' VAL . 25.0 m -114.02 4.39 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.755 0.312 . . . . 0.0 111.643 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.505 ' HA2' HD22 ' A' ' 99' ' ' LEU . . . 163.4 165.67 20.94 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.101 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -125.75 75.71 1.51 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.009 0.909 . . . . 0.0 110.539 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.418 ' HB3' ' CB ' ' A' ' 94' ' ' GLN . . . -166.11 -173.95 2.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.387 -1.279 . . . . 0.0 108.355 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -93.07 110.0 21.48 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 55.83 69.57 0.72 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.932 -174.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.418 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 59.6 tp60 -143.9 104.48 4.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.247 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.547 HG13 ' HB ' ' A' ' 88' ' ' VAL . 85.6 t -105.67 121.58 58.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.012 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -124.88 125.21 43.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.144 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.52 -4.43 26.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.827 -176.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -77.17 -19.11 57.24 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.505 HD22 ' HA2' ' A' ' 89' ' ' GLY . 7.8 mp -103.78 111.67 24.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.689 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 pm0 -125.12 37.3 4.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.892 176.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.676 ' OG1' ' HB ' ' A' ' 87' ' ' VAL . 2.2 p -48.48 138.76 11.36 Favored Pre-proline 0 C--O 1.234 0.256 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.633 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -52.67 138.56 58.87 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.89 3.06 . . . . 0.0 113.613 -171.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.536 ' CD2' ' HB2' ' A' ' 86' ' ' LYS . 70.2 m-85 -62.77 129.41 40.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.049 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -97.01 144.43 26.91 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 121.049 -0.261 . . . . 0.0 110.41 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.05 -42.61 84.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.037 -172.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 61.8 p -130.34 162.22 29.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.518 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.439 HG21 HG13 ' A' ' 40' ' ' VAL . 11.4 p -69.66 -26.84 31.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 109.723 175.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -64.72 -48.53 74.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.953 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 113' ' ' THR . 27.2 t -68.45 -29.13 67.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.655 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.483 HD21 HD22 ' A' ' 78' ' ' LEU . 35.4 tp -72.36 -57.85 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.505 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.66 -24.5 67.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.7 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.42 -33.21 75.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.764 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 109' ' ' SER . 63.1 p -86.92 -10.05 54.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.364 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.6 mt -113.59 -28.38 7.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -171.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.508 ' HB3' HG21 ' A' ' 70' ' ' THR . 20.0 p -137.29 126.7 15.3 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.574 0.226 . . . . 0.0 111.065 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -73.08 -23.97 17.67 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.765 2.31 . . . . 0.0 112.946 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.91 -6.14 58.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.674 0.274 . . . . 0.0 111.113 -177.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.31 -50.98 69.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.156 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.92 -24.87 65.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.149 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -80.56 -37.99 30.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.94 -0.28 50.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.279 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.9 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.953 -179.672 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.722 ' HA ' ' HA ' ' A' ' 61' ' ' ASP . 45.1 m-20 . . . . . 0 C--O 1.234 0.283 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 33.4 tpp -71.77 -24.54 61.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.595 ' HD3' ' SG ' ' A' ' 59' ' ' CYS . 11.5 mmm180 -56.31 -38.48 71.33 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.448 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.549 ' HG ' ' HB2' ' A' ' 32' ' ' ASP . 5.8 mt -62.94 -57.09 11.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.313 0.577 . . . . 0.0 110.434 -176.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -68.0 -24.06 65.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.093 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -65.92 -52.02 53.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.2 -31.56 72.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.594 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.06 90.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.242 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.79 -47.17 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.738 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 51' ' ' MET . 76.7 t -53.42 -47.0 59.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.329 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -86.46 4.71 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.891 0.377 . . . . 0.0 111.564 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -101.37 -50.85 3.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.634 0.254 . . . . 0.0 111.067 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -104.38 17.38 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.48 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 51.8 tp -52.78 -37.28 59.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.125 -177.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -74.67 -14.68 60.78 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.504 ' O ' ' HE2' ' A' ' 71' ' ' LYS . . . -77.0 -24.66 52.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.191 0.519 . . . . 0.0 110.768 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.555 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.0 m -125.54 -167.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.799 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -76.78 -55.88 5.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -165.18 158.7 16.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.312 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.542 ' HB2' HG13 ' A' ' 41' ' ' VAL . 85.3 mtp -130.16 141.26 50.68 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -142.87 130.03 20.84 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.465 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.55 HG12 HG12 ' A' ' 66' ' ' ILE . 9.0 m -69.55 133.07 32.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.832 0.348 . . . . 0.0 110.542 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.416 ' HB3' HD13 ' A' ' 57' ' ' LEU . 35.7 m -63.42 142.8 58.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.865 -173.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -123.69 6.22 8.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.432 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 m -109.7 0.07 18.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.342 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD13 ' HB3' ' A' ' 54' ' ' SER . 4.9 mp -120.83 -93.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.316 -174.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -169.3 159.45 8.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.595 ' SG ' ' HD3' ' A' ' 34' ' ' ARG . 11.6 p 176.74 155.94 0.26 Allowed 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 123.798 0.686 . . . . 0.0 110.38 171.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -172.36 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.316 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.722 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 22.0 p-10 -121.95 -52.78 1.98 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.643 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -83.78 -41.39 17.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.172 0.51 . . . . 0.0 111.201 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 59' ' ' CYS . 3.7 p -111.91 139.89 34.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.584 -171.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.81 111.03 3.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.009 173.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -86.02 130.86 34.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.55 HG12 HG12 ' A' ' 53' ' ' VAL . 49.7 mt -126.95 132.33 70.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.56 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -97.88 120.23 37.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.1 p -112.24 123.71 68.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.942 0.401 . . . . 0.0 110.566 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.555 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 8.3 tp10 -106.85 115.44 30.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.812 177.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.46 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 80.4 p -79.89 170.08 17.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.654 -177.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 47' ' ' ALA . 66.9 mttm -66.06 -17.95 65.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.876 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -88.78 -6.14 57.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.12 23.51 2.66 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.838 0.828 . . . . 0.0 109.899 -175.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -102.19 105.6 16.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.259 173.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.79 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -108.33 150.54 27.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.059 0.456 . . . . 0.0 111.259 -167.704 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -133.88 149.57 51.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.25 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 69.2 m -100.81 122.49 43.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.421 HD13 HD23 ' A' ' 85' ' ' LEU . 83.2 mt -107.25 131.03 54.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.037 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.406 ' OE1' HG23 ' A' ' 63' ' ' VAL . 5.4 tp10 -93.42 107.26 19.12 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 172.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.4 tp -92.74 111.73 23.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.239 0.543 . . . . 0.0 109.912 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 p -140.42 -166.15 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.909 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.16 -9.87 58.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.992 0.425 . . . . 0.0 110.636 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.15 -4.24 59.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.293 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.78 -146.89 16.13 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.685 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.421 HD23 HD13 ' A' ' 78' ' ' LEU . 5.7 mp -102.91 110.26 22.11 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -113.66 110.21 19.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.028 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.64 127.71 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.162 0.506 . . . . 0.0 110.932 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 95' ' ' VAL . 6.0 m -122.38 4.06 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.117 -175.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.604 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -172.72 158.6 28.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 119.942 -1.123 . . . . 0.0 113.243 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -114.75 18.2 16.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.257 0.551 . . . . 0.0 110.285 -178.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 94' ' ' GLN . . . -142.63 162.7 34.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.363 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -67.39 129.56 40.28 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.493 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 63.67 22.97 13.34 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.011 0.819 . . . . 0.0 111.183 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.604 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 19.7 tp60 -106.18 109.2 21.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.51 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.506 HG22 HG23 ' A' ' 88' ' ' VAL . 60.8 t -131.65 127.66 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.835 0.35 . . . . 0.0 111.012 -177.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.539 ' OD2' ' HB3' ' A' ' 98' ' ' HIS . 5.1 t70 -136.81 113.81 10.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.468 177.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.76 -10.6 59.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.363 0.602 . . . . 0.0 111.087 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.539 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 19.8 t-80 -70.89 -18.52 62.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.008 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.33 115.08 6.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.799 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -93.25 42.44 1.1 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.821 0.82 . . . . 0.0 109.981 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 6.8 p -69.46 138.8 88.97 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.546 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 14.1 Cg_exo -69.11 118.79 5.9 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.766 2.311 . . . . 0.0 111.991 178.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -80.38 162.47 24.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -126.07 155.41 41.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.563 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.72 -59.63 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.57 -172.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.7 p -102.45 158.42 16.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.052 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.6 p -71.84 -26.28 25.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.114 0.483 . . . . 0.0 109.967 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -65.42 -56.19 13.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.502 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.8 p -63.05 -33.47 75.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.719 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 114' ' ' LEU . 45.2 tp -63.58 -58.33 7.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.649 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.72 -18.05 65.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -81.27 -20.48 40.82 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 -177.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 63.7 m -90.3 -15.49 31.1 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 112.546 -2.115 . . . . 0.0 110.387 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 114' ' ' LEU . 3.8 mm? -102.79 -48.99 3.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.324 -174.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.7 m -126.09 133.58 25.08 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.699 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -75.06 -24.7 12.48 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.569 2.179 . . . . 0.0 111.832 176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.71 -8.65 53.69 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.61 -50.78 72.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.413 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -69.2 -23.58 63.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.913 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -67.32 -49.14 65.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.896 176.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.97 58.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.224 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 61.9 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.474 -179.36 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.419 ' OD2' ' HB3' ' A' ' 34' ' ' ARG . 24.3 t70 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.078 0.466 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 30.8 tpp -68.94 -12.58 61.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.04 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.55 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 59.6 ttp85 -71.09 -23.1 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.457 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.02 -45.45 77.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 mm-40 -63.15 -30.37 71.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.3 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -69.1 -49.15 59.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.409 -178.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 43.6 mm-40 -58.29 -40.75 82.75 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.299 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.12 84.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.795 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.435 ' O ' HG22 ' A' ' 44' ' ' VAL . 74.5 t -64.29 -49.46 80.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.137 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.577 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 73.0 t -56.05 -41.65 69.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.535 -177.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -77.27 -30.72 54.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.86 0.362 . . . . 0.0 111.147 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -75.68 -47.22 27.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.91 -172.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.7 m -106.86 15.5 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.6 tp -55.94 -38.4 70.27 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.944 0.402 . . . . 0.0 111.698 -178.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.551 ' HE2' ' HA ' ' A' ' 122' ' ' PHE . 24.7 p90 -73.15 -10.66 60.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.403 -175.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 118' ' ' TYR . . . -83.88 -21.56 31.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 111.227 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.609 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 31.6 m -119.89 -167.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.376 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -84.54 -58.45 2.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -143.95 160.58 40.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.193 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.0 ttt -163.55 137.27 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.491 0.186 . . . . 0.0 110.694 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -162.34 149.73 13.88 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.492 HG21 ' HG3' ' A' ' 34' ' ' ARG . 7.4 p -61.85 145.87 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.449 ' HB3' HD13 ' A' ' 57' ' ' LEU . 31.6 m -63.02 137.39 58.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.019 0.438 . . . . 0.0 110.502 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -107.87 -4.1 18.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.503 -171.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -110.3 7.83 23.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.017 0.437 . . . . 0.0 110.974 -174.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' A' ' 54' ' ' SER . 5.0 mp -128.97 -148.63 0.38 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.888 -174.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -142.19 161.55 37.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -171.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 24.7 p -132.61 95.35 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.442 0.639 . . . . 0.0 110.099 173.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.05 72.56 5.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.277 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 33' ' ' MET . 0.7 OUTLIER 60.21 -84.9 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.258 -176.873 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.628 ' O ' ' HA ' ' A' ' 81' ' ' THR . 21.3 t70 -66.33 -34.72 78.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.063 -171.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 6.5 p -107.16 122.4 61.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.987 0.422 . . . . 0.0 111.81 -174.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 33' ' ' MET . . . -134.02 127.38 32.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.021 172.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -89.8 129.81 36.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.047 0.451 . . . . 0.0 110.827 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 56.1 mt -115.66 138.25 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.377 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -104.09 132.1 50.68 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 11.6 p -141.84 141.11 29.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.085 0.469 . . . . 0.0 111.154 -173.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.609 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 44.9 tt0 -123.71 109.06 13.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.19 178.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.544 HG22 ' HB2' ' A' ' 115' ' ' SER . 56.1 p -63.0 170.81 2.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.282 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -74.84 -2.64 27.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.754 0.312 . . . . 0.0 111.303 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -95.93 3.53 53.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 171.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 66.97 15.19 10.1 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.76 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -78.23 114.8 17.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 171.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.556 ' HD2' ' HD1' ' A' ' 92' ' ' PHE . 53.8 mtm180 -96.05 136.08 36.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.952 0.406 . . . . 0.0 110.42 -177.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -129.6 148.59 51.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.112 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 98.6 m -108.59 116.86 32.77 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 173.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.442 HD13 HD21 ' A' ' 110' ' ' LEU . 31.1 mt -106.15 132.99 51.56 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.701 -172.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -94.66 101.01 12.85 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 85' ' ' LEU . 63.4 tp -87.12 115.49 24.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.294 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.628 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 9.5 p -124.87 164.88 19.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.036 174.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.04 -26.67 68.66 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.882 0.373 . . . . 0.0 111.012 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.75 -6.49 59.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 139.86 -176.84 20.96 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.204 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.645 HD23 HD13 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -127.42 145.71 50.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.76 0.314 . . . . 0.0 111.083 -178.876 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.403 ' HG2' ' HD1' ' A' ' 103' ' ' TYR . 0.3 OUTLIER -132.53 160.81 35.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.109 -179.755 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.1 t -87.59 110.83 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.12 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.535 ' HB ' HG13 ' A' ' 95' ' ' VAL . 17.8 m -109.59 1.55 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.028 0.442 . . . . 0.0 111.589 -178.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.579 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -165.94 162.51 36.0 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.015 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -137.76 45.8 2.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.703 0.763 . . . . 0.0 110.5 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -150.27 -167.59 2.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.544 176.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.556 ' HD1' ' HD2' ' A' ' 75' ' ' ARG . 4.9 t80 -95.12 104.44 16.32 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.84 62.92 1.19 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.23 -174.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.579 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 21.2 tm0? -143.71 115.53 8.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.497 -176.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.535 HG13 ' HB ' ' A' ' 88' ' ' VAL . 71.1 t -123.47 116.29 47.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.682 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.546 ' HB3' HD13 ' A' ' 99' ' ' LEU . 33.9 t70 -107.46 141.28 39.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.238 0.542 . . . . 0.0 111.349 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.93 -22.9 65.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.256 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.401 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 54.7 m80 -84.75 -8.87 58.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -170.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.546 HD13 ' HB3' ' A' ' 96' ' ' ASP . 8.5 mp -77.65 109.39 11.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.265 0.555 . . . . 0.0 110.61 175.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -107.09 70.75 0.81 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.21 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 13.1 p -93.54 157.14 38.97 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.55 -174.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 3.3 Cg_exo -80.53 -166.15 0.39 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.99 2.46 . . . . 0.0 111.307 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.403 ' HD1' ' HG2' ' A' ' 86' ' ' LYS . 10.7 m-85 -107.32 167.74 9.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.284 0.564 . . . . 0.0 111.087 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -134.58 143.16 47.21 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 164.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.45 -61.25 1.99 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.231 0.539 . . . . 0.0 110.989 -174.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.0 m -122.95 150.68 42.65 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.503 -172.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.56 -25.67 37.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.871 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -63.91 -49.34 73.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.3 m -65.41 -38.74 90.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.068 0.461 . . . . 0.0 110.661 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.498 HD22 HD13 ' A' ' 85' ' ' LEU . 11.3 tp -63.94 -49.7 71.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.335 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.488 HD11 ' CG1' ' A' ' 48' ' ' VAL . 22.5 tp -62.54 -32.98 74.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -174.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.11 -39.55 93.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.171 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.9 p -67.35 -19.57 65.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.248 0.547 . . . . 0.0 111.073 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 47.7 mt -104.08 -45.38 4.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.149 -175.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.544 ' HB2' HG22 ' A' ' 70' ' ' THR . 22.9 t -125.86 99.0 32.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.297 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.93 -16.11 52.95 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.825 2.35 . . . . 0.0 112.169 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.44 -8.15 53.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.396 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.451 ' HA ' ' HB1' ' A' ' 47' ' ' ALA . 6.6 t80 -57.96 -45.08 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.459 175.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -70.1 -38.92 75.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.247 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.38 -50.35 68.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.941 0.401 . . . . 0.0 110.61 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.88 95.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.183 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.551 ' HA ' ' HE2' ' A' ' 46' ' ' PHE . 73.4 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.047 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.545 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 1.1 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.699 0.285 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.611 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 30.2 tpp -66.47 -18.31 65.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.419 . . . . 0.0 110.86 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.501 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 9.8 mtp180 -68.45 -27.72 66.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.6 -178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 32' ' ' ASP . 6.6 mt -70.44 -46.6 63.55 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 176.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 40' ' ' VAL . 5.3 mm-40 -58.93 -34.67 72.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.114 175.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -67.03 -53.7 28.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.271 -176.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.3 -30.47 70.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.161 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.85 86.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.338 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.498 HG13 HG11 ' A' ' 107' ' ' VAL . 55.0 t -60.31 -45.71 95.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.997 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.662 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 85.0 t -53.08 -57.46 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.829 -177.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -70.46 -27.89 64.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.658 0.266 . . . . 0.0 111.334 -174.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -73.92 -49.18 25.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 m -116.38 19.6 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.662 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 8.4 tt -60.38 -32.78 71.63 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -65.25 -11.82 45.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.531 -175.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HA ' ' CB ' ' A' ' 121' ' ' ALA . . . -86.29 -10.45 54.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.683 0.278 . . . . 0.0 111.261 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.723 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.2 m -134.63 -168.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.149 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -81.96 -47.93 12.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.193 0.52 . . . . 0.0 110.267 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -160.57 154.82 23.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.04 -174.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.639 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 22.4 ttm -153.02 139.25 18.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -157.91 151.36 23.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.529 0.204 . . . . 0.0 110.581 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.0 p -76.86 141.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.369 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.404 ' CB ' HD23 ' A' ' 57' ' ' LEU . 13.9 m -80.84 122.03 26.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.11 0.481 . . . . 0.0 111.476 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -113.78 18.58 17.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.688 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -135.36 18.54 3.38 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -172.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 93' ' ' ASP . 7.1 tp -130.01 -83.95 0.54 Allowed 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 113.302 -1.772 . . . . 0.0 109.832 -162.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.517 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER 173.29 141.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 168.053 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.4 p -145.85 80.19 1.58 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.654 0.74 . . . . 0.0 111.456 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 62' ' ' ASP . . . -86.86 102.44 14.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 169.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.611 ' O ' ' HB2' ' A' ' 33' ' ' MET . 25.8 m-20 -32.67 -16.0 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -164.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 60' ' ' ALA . 9.7 t70 -64.56 -25.61 68.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 119.315 0.961 . . . . 0.0 109.106 166.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.2 p -142.12 142.07 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.233 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.67 123.78 8.81 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 47.0 m-85 -86.25 140.92 29.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.448 0.642 . . . . 0.0 111.404 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 55.2 mt -119.93 134.3 63.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.591 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.797 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 93.9 m-20 -96.29 106.25 18.44 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.911 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.504 ' HB ' ' HG3' ' A' ' 51' ' ' MET . 11.4 p -112.88 135.7 51.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.928 0.394 . . . . 0.0 110.337 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.723 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 26.8 tt0 -115.87 115.74 26.76 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.698 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.8 p -63.34 171.2 2.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -68.24 -14.56 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.715 0.293 . . . . 0.0 111.433 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -93.29 8.99 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.005 0.431 . . . . 0.0 110.292 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 71.64 6.78 5.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.426 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -77.71 122.95 26.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 90' ' ' TYR . 3.4 mtm-85 -96.45 146.4 24.81 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.044 0.449 . . . . 0.0 111.223 -172.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -131.58 114.17 14.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.577 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.439 ' O ' HG22 ' A' ' 88' ' ' VAL . 13.9 t -81.64 108.51 15.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 78.6 mt -100.5 133.01 45.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.143 0.497 . . . . 0.0 111.436 -172.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 41.1 tt0 -93.53 98.82 11.43 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.196 176.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.39 114.63 20.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.851 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.446 HG23 ' HG2' ' A' ' 79' ' ' GLU . 26.1 p -132.94 179.63 6.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.178 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -72.38 -9.15 58.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.02 0.438 . . . . 0.0 110.618 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.34 0.86 46.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.62 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.46 -158.68 14.32 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.693 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' HB2' HD22 ' A' ' 110' ' ' LEU . 6.3 mp -110.51 127.13 55.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.03 0.443 . . . . 0.0 110.579 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.582 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 81.5 tttt -114.58 154.45 28.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.935 -178.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.535 ' HB ' ' OG1' ' A' ' 101' ' ' THR . 50.1 t -103.21 116.06 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 121.95 -0.469 . . . . 0.0 110.146 177.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.499 HG21 HG22 ' A' ' 95' ' ' VAL . 34.6 m -111.01 -11.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -168.96 163.11 36.9 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 119.578 -1.296 . . . . 0.0 113.327 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 75' ' ' ARG . 65.4 m-85 -99.76 11.21 39.83 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.77 173.01 12.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.927 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.797 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 46.2 m-85 -72.02 127.28 32.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.339 -178.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.587 ' HA ' HD22 ' A' ' 57' ' ' LEU . 1.7 m-20 64.14 24.36 13.43 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.227 0.537 . . . . 0.0 110.688 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.468 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 20.8 tp60 -100.86 103.45 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.129 -178.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.499 HG22 HG21 ' A' ' 88' ' ' VAL . 94.5 t -110.1 101.6 12.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.539 ' HB3' HD13 ' A' ' 99' ' ' LEU . 10.7 t70 -101.49 145.09 29.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.709 -173.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.83 -14.2 60.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.199 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -92.87 9.25 36.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.342 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' A' ' 96' ' ' ASP . 6.7 mp -120.41 102.41 8.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.228 0.537 . . . . 0.0 111.824 174.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.22 40.26 3.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.594 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.535 ' OG1' ' HB ' ' A' ' 87' ' ' VAL . 46.7 p -54.75 151.62 14.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.838 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.38 120.5 8.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.905 2.403 . . . . 0.0 112.422 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -84.31 145.36 28.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.103 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -110.49 155.23 22.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.003 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.569 ' HG2' HG23 ' A' ' 106' ' ' THR . 0.0 OUTLIER -67.73 -38.01 82.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.787 -173.272 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.569 HG23 ' HG2' ' A' ' 105' ' ' GLU . 23.5 p -121.68 153.63 37.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.748 0.308 . . . . 0.0 111.429 -176.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.498 HG11 HG13 ' A' ' 40' ' ' VAL . 11.0 p -68.58 -27.12 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -62.19 -56.35 19.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.981 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.9 m -77.42 -3.16 38.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.528 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.443 HD22 ' HB2' ' A' ' 85' ' ' LEU . 51.4 tp -95.98 -55.34 3.01 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.999 -0.438 . . . . 0.0 110.724 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.485 ' HA ' HD12 ' A' ' 114' ' ' LEU . 14.5 tp -62.33 -26.62 68.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.144 0.497 . . . . 0.0 109.88 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.64 -26.89 67.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.198 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 44.6 p -90.87 -2.41 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.347 0.594 . . . . 0.0 110.576 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 111' ' ' LEU . 37.8 mt -110.0 -35.55 6.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.923 -175.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -143.07 111.69 5.61 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.564 0.221 . . . . 0.0 110.945 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.66 -21.79 48.98 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.242 2.628 . . . . 0.0 113.078 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.96 -6.4 38.4 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.656 0.265 . . . . 0.0 111.277 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.42 ' CD1' HD23 ' A' ' 111' ' ' LEU . 77.8 t80 -57.24 -54.9 41.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.531 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -63.45 -41.67 98.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.193 -175.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -62.14 -48.18 81.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.243 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 47' ' ' ALA . . . -61.35 -46.1 91.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.104 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 7.0 m-20 . . . . . 0 CA--C 1.52 -0.19 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.574 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 19.5 tpp -63.14 -34.02 76.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.156 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -37.79 76.55 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.407 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 25.3 tp -58.24 -59.56 5.13 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.882 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.6 mm-40 -61.09 -29.52 69.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.583 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -63.29 -40.84 98.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.259 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -59.68 -45.38 92.25 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.038 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.42 85.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.815 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.547 HG13 HG11 ' A' ' 107' ' ' VAL . 54.7 t -58.45 -52.01 64.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.654 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 37' ' ' ALA . 94.5 t -57.54 -41.15 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.86 -175.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -81.15 -16.4 53.05 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -176.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -91.74 -48.01 7.04 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.513 -176.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 40' ' ' VAL . 32.6 m -94.23 5.74 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 62.8 tp -57.56 -29.23 64.24 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 111.8 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -71.76 -21.35 61.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.338 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.25 -5.68 58.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.917 0.389 . . . . 0.0 111.483 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.657 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.7 m -132.42 -170.8 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.165 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -89.43 -60.07 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.055 0.455 . . . . 0.0 109.861 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -136.69 156.54 48.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.94 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.2 ttt -166.49 132.36 2.35 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -158.58 154.86 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.936 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.563 HG12 HG12 ' A' ' 66' ' ' ILE . 14.3 m -72.88 131.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.595 ' CB ' HD12 ' A' ' 57' ' ' LEU . 20.3 m -67.13 130.35 42.84 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.315 0.579 . . . . 0.0 111.215 -174.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -105.65 7.46 32.69 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.271 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.464 ' HB3' ' OD1' ' A' ' 93' ' ' ASP . 46.3 t -106.24 -0.81 24.19 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 173.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 65' ' ' TYR . 40.2 mt -114.22 -153.49 0.52 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.057 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.0 ptt-85 -131.9 147.94 52.5 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.997 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.5 m -153.81 151.75 29.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.039 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.84 -77.8 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.334 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.574 ' O ' ' HB2' ' A' ' 33' ' ' MET . 18.1 p30 -148.98 -41.37 0.15 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.21 -175.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.16 -37.31 54.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.16 0.505 . . . . 0.0 111.299 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 p -131.04 147.57 33.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.032 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . . . -142.63 108.66 5.2 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.033 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.633 ' HB3' HD13 ' A' ' 57' ' ' LEU . 42.1 m-85 -86.53 111.44 20.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.056 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.563 HG12 HG12 ' A' ' 53' ' ' VAL . 53.2 mt -117.09 133.39 63.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.037 -176.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -100.34 126.83 46.74 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.4 p -131.37 148.33 32.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.318 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.657 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 35.7 tt0 -134.1 115.39 14.22 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.6 p -64.61 169.43 4.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.74 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -69.89 -13.91 62.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.136 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -86.7 10.89 14.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.586 174.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 67.05 19.45 10.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.149 173.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -103.62 130.25 51.02 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.734 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -103.95 151.89 22.64 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.464 -172.438 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -137.54 144.97 42.37 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.655 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.6 m -101.54 120.15 39.86 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 169.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.517 ' CD2' HG12 ' A' ' 87' ' ' VAL . 60.9 mt -104.02 127.13 51.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.896 0.379 . . . . 0.0 111.034 -175.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -94.39 95.6 8.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.464 HD13 ' HG ' ' A' ' 85' ' ' LEU . 61.5 tp -85.53 118.41 25.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.594 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 p -137.27 -179.13 5.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.343 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -77.14 2.54 14.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.009 0.433 . . . . 0.0 110.382 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.85 0.09 35.01 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.27 -176.79 16.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.296 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.464 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.1 mp -99.87 111.13 23.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.755 0.312 . . . . 0.0 110.363 178.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.613 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 25.3 ttpp -114.64 128.57 56.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.113 178.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.517 HG12 ' CD2' ' A' ' 78' ' ' LEU . 17.7 m -75.02 136.41 25.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.823 0.344 . . . . 0.0 110.097 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.473 HG21 HG22 ' A' ' 95' ' ' VAL . 15.9 m -119.32 -1.52 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.572 -177.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.89 157.82 27.3 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.193 -1.004 . . . . 0.0 112.579 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.19 22.73 12.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.751 0.786 . . . . 0.0 110.219 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.41 -168.46 1.91 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.068 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -92.81 126.0 37.69 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.464 ' OD1' ' HB3' ' A' ' 56' ' ' SER . 35.2 m-20 59.33 52.73 5.74 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.755 0.659 . . . . 0.0 110.97 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -124.23 123.37 40.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.609 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.473 HG22 HG21 ' A' ' 88' ' ' VAL . 93.3 t -128.95 108.71 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.043 0.449 . . . . 0.0 110.844 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.413 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 12.0 t70 -105.01 127.04 52.69 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.315 175.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -90.14 -11.58 40.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.114 0.483 . . . . 0.0 110.928 -174.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -78.73 -31.33 46.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.917 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.413 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 55.9 mt -53.94 120.86 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.863 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.2 86.75 2.41 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 173.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.8 p -107.46 149.26 38.6 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.463 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -65.62 114.05 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.124 1.883 . . . . 0.0 112.896 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.613 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 3.2 p90 -74.84 117.78 17.07 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.291 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -88.15 153.0 21.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.831 -172.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.536 ' HG2' HG23 ' A' ' 106' ' ' THR . 9.5 tt0 -49.75 -61.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 124.746 1.279 . . . . 0.0 111.702 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.536 HG23 ' HG2' ' A' ' 105' ' ' GLU . 5.2 p -130.62 166.2 21.17 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.827 -175.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.547 HG11 HG13 ' A' ' 40' ' ' VAL . 12.5 p -66.8 -27.97 41.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.008 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -66.56 -50.01 64.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.399 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 p -69.25 -36.28 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.45 -51.55 55.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.292 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.472 HD21 HG13 ' A' ' 48' ' ' VAL . 13.5 tp -65.0 -26.04 68.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 0.0 110.063 -176.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.76 -29.19 67.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.983 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.2 p -86.88 -11.43 50.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.355 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.9 mt -114.9 -26.51 7.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.7 t -123.1 103.59 36.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.876 0.369 . . . . 0.0 110.483 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.02 19.52 0.42 Allowed 'Trans proline' 0 N--CA 1.471 0.177 0 C-N-CA 123.415 2.743 . . . . 0.0 112.015 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -119.0 -0.14 11.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.793 172.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -65.04 -47.56 76.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.775 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.665 ' HD3' ' H ' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -62.83 -48.29 79.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.528 0.68 . . . . 0.0 109.713 -179.15 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -58.64 -47.26 85.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.964 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.17 94.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.3 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.281 179.425 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.505 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 12.0 m-20 . . . . . 0 CA--C 1.519 -0.213 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 33.8 tpp -63.52 -32.23 73.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.283 0.563 . . . . 0.0 109.858 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -68.69 -30.42 69.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.814 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.505 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 16.9 tp -67.04 -57.47 6.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.615 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 40' ' ' VAL . 47.2 mm-40 -59.18 -31.92 69.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.17 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -62.66 -48.69 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.81 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.35 -37.48 87.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.4 84.93 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.348 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.512 HG13 HG11 ' A' ' 107' ' ' VAL . 52.8 t -59.54 -49.69 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.164 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.447 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 62.0 t -56.06 -47.45 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.284 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.404 HD22 ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -67.27 -36.84 82.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.818 0.342 . . . . 0.0 110.593 -178.701 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.61 -48.82 65.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.723 -173.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 40' ' ' VAL . 35.9 m -103.5 16.45 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 111.713 -175.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.1 tp -56.75 -35.83 69.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.591 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -76.56 -9.89 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.457 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.32 -14.64 37.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.815 0.34 . . . . 0.0 111.322 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.59 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.0 m -126.88 -172.58 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.326 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -84.27 -54.83 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.248 0.547 . . . . 0.0 109.851 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -141.81 150.42 41.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.757 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.417 ' HB3' HG13 ' A' ' 41' ' ' VAL . 10.2 ttt -156.58 132.78 9.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -153.38 146.63 24.75 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 -177.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 m -68.51 -173.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.404 0.145 . . . . 0.0 111.173 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.842 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.2 m -51.1 111.22 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.234 0.54 . . . . 0.0 111.97 -175.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -82.25 -22.09 35.97 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.037 175.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.45 2.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.776 -173.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.842 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 3.3 mm? -98.87 -154.78 0.47 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.606 0.717 . . . . 0.0 109.55 -174.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 58' ' ' ARG . 5.8 ptp180 -120.99 144.74 48.35 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.636 -1.165 . . . . 0.0 108.479 175.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 10.7 p -163.65 124.92 2.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.23 0.538 . . . . 0.0 110.781 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -163.09 -61.45 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.798 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 33' ' ' MET . 12.1 t70 -122.42 -69.54 0.82 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.595 -161.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.46 -20.46 15.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.654 -174.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 9.9 p -136.81 146.6 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.26 -174.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.492 ' HA ' ' HB3' ' A' ' 59' ' ' CYS . . . -158.77 115.9 2.79 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.116 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CG ' ' HG ' ' A' ' 57' ' ' LEU . 66.9 m-85 -85.69 146.83 26.64 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.153 177.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.472 HD11 ' HB1' ' A' ' 37' ' ' ALA . 55.3 mt -133.1 127.32 54.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.12 0.486 . . . . 0.0 110.307 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.478 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 14.7 m120 -91.03 110.6 21.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.153 177.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.5 p -116.03 138.91 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.227 0.537 . . . . 0.0 111.397 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.59 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.0 tt0 -123.89 105.18 9.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.493 176.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.413 ' HA ' HG12 ' A' ' 48' ' ' VAL . 76.7 p -64.53 165.55 9.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.413 -176.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 68.3 mttm -65.05 -25.93 68.03 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.035 0.445 . . . . 0.0 110.481 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.1 mp0 -73.59 2.12 8.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.673 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 73.84 2.14 4.13 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.626 0.77 . . . . 0.0 110.944 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -76.37 135.1 39.51 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -113.28 128.83 56.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.124 -172.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -119.7 143.83 47.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.189 0.518 . . . . 0.0 111.202 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 37.1 t -104.52 108.41 19.83 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 171.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 88.1 mt -103.44 131.84 50.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.133 0.492 . . . . 0.0 111.574 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -99.33 100.73 11.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.012 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.555 HD13 ' HG ' ' A' ' 85' ' ' LEU . 52.4 tp -86.98 115.47 24.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.063 0.459 . . . . 0.0 110.188 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.0 p -123.34 -179.58 4.37 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.537 -0.756 . . . . 0.0 108.998 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -70.62 -15.29 62.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.429 0.633 . . . . 0.0 109.466 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.43 -21.25 39.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.768 176.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.76 -168.77 24.12 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.754 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.555 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.2 mp -96.85 121.52 38.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -113.05 141.72 46.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.265 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.5 t -86.33 111.98 22.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.6 m -108.61 -1.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.15 155.63 19.62 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.814 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -102.56 23.02 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 110.658 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -150.84 165.47 33.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.592 177.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 24.4 m-85 -70.21 134.01 47.64 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.964 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 65.98 27.68 10.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.323 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -111.88 113.01 25.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.8 t -117.57 99.84 8.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.364 174.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -97.82 127.35 43.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.282 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -85.4 5.44 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.776 -174.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -93.22 -25.22 17.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.0 mt -69.12 125.57 27.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.123 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -114.71 26.95 9.79 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 174.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.19 125.48 50.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.977 -177.148 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.27 134.81 54.28 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 123.033 2.489 . . . . 0.0 112.804 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -89.88 159.5 16.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.81 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -123.78 142.67 50.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -62.74 -52.69 62.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.727 0.298 . . . . 0.0 111.598 -174.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 56.2 p -106.82 151.65 24.92 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.905 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.512 HG11 HG13 ' A' ' 40' ' ' VAL . 9.6 p -63.82 -28.19 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 177.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -63.67 -54.29 37.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.9 m -72.28 -2.67 19.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.529 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 53.8 tp -97.11 -59.19 1.84 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.956 0.407 . . . . 0.0 110.976 174.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.541 HD23 ' CD1' ' A' ' 118' ' ' TYR . 10.8 tp -73.21 -19.46 61.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.549 -170.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.431 ' OD1' ' HB3' ' A' ' 119' ' ' ARG . 31.9 t70 -82.59 -20.32 36.7 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.895 1.331 . . . . 0.0 107.558 -175.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.1 m -88.52 -16.07 33.61 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 112.734 -2.03 . . . . 0.0 110.003 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 93.0 mt -100.59 -59.88 1.62 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.26 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 65.2 m -102.31 127.03 31.56 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 112.074 -173.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -66.09 -32.86 42.68 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.656 2.237 . . . . 0.0 111.45 172.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.5 -20.56 63.71 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.159 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.541 ' CD1' HD23 ' A' ' 111' ' ' LEU . 66.8 t80 -58.95 -62.59 1.77 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.462 177.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.46 ' HA ' ' HB3' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -67.43 -21.46 65.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -177.001 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.86 -51.35 65.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.758 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.74 -30.81 46.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.946 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.46 ' HB3' ' HA ' ' A' ' 119' ' ' ARG . 57.0 t80 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.593 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 45.6 t0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.497 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 28.6 tpp -69.65 -23.38 63.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.366 0.603 . . . . 0.0 110.278 -177.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HB3' ' OD1' ' A' ' 32' ' ' ASP . 8.7 ttp180 -69.97 -30.96 68.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.863 174.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 16.5 tp -66.81 -53.48 32.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.2 175.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.41 -29.05 65.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.369 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -65.65 -47.79 74.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.352 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.14 -36.73 66.1 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.97 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.43 -53.26 20.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.446 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.491 HG13 HG11 ' A' ' 107' ' ' VAL . 86.4 t -60.64 -43.31 94.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 51' ' ' MET . 46.6 t -53.39 -46.32 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.939 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -91.67 -1.66 57.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 111.163 -174.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -88.37 -41.7 12.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.204 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.54 14.07 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 6.8 tt -57.82 -37.76 74.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.706 -174.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -73.66 -0.27 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.82 -19.13 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.079 0.466 . . . . 0.0 110.253 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 30.3 m -124.81 -167.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.631 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -80.86 -55.25 4.93 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.522 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -163.24 154.7 17.25 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.781 0.324 . . . . 0.0 111.184 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.542 ' HB2' HG13 ' A' ' 41' ' ' VAL . 88.5 mtp -134.96 142.05 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -154.49 138.26 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -178.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.17 138.33 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.828 0.347 . . . . 0.0 111.101 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.408 ' HB3' HD13 ' A' ' 57' ' ' LEU . 4.1 m -72.71 112.31 8.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.036 0.446 . . . . 0.0 110.31 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.55 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 1.7 tmtp? -86.55 -12.99 47.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 -174.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -89.98 3.34 53.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.074 0.464 . . . . 0.0 110.819 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.572 HD21 ' CG2' ' A' ' 95' ' ' VAL . 5.9 mp -120.7 -100.37 0.43 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.862 -175.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -166.65 158.16 12.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 0.0 110.974 -171.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 7.5 p -159.2 73.76 0.61 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.6 172.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.2 -54.18 5.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.93 -170.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.08 -76.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.499 -175.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.585 ' OD1' ' HB2' ' A' ' 82' ' ' GLU . 20.0 t70 -94.56 -15.78 23.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.863 0.363 . . . . 0.0 111.391 -176.187 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 12.0 p -105.36 128.81 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.175 0.512 . . . . 0.0 111.253 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.91 124.16 11.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.685 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.474 ' CG ' HD22 ' A' ' 57' ' ' LEU . 90.3 m-85 -93.15 129.92 38.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.882 0.372 . . . . 0.0 110.39 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 57.5 mt -119.45 129.83 74.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.961 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -88.34 129.15 35.47 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.128 173.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.523 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.6 p -128.41 119.97 51.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.282 0.563 . . . . 0.0 109.986 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 31.7 tt0 -102.92 111.47 23.82 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.558 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 p -70.7 178.85 2.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.566 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -65.01 -11.43 38.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.941 0.4 . . . . 0.0 110.675 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.75 -16.4 61.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.393 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? 70.69 16.41 6.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.459 -174.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -98.25 135.26 40.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 2.8 mpt_? -97.37 141.86 29.95 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -127.28 142.09 51.55 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 95.1 m -103.85 120.04 40.18 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.118 0.485 . . . . 0.0 110.637 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.1 mt -108.1 131.72 54.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.604 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 44.8 tt0 -93.78 97.82 10.68 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.549 HD13 ' HG ' ' A' ' 85' ' ' LEU . 55.4 tp -84.19 121.43 27.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.937 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 19.4 p -142.93 178.51 7.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.324 -178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.585 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . 35.8 tt0 -56.13 -33.0 64.76 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.371 176.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.61 -7.28 58.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.675 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.79 -160.9 15.06 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.533 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.549 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.4 mp -101.41 127.54 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.695 0.283 . . . . 0.0 110.672 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 31.0 ttmt -116.99 146.78 42.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.16 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.528 ' HB ' HG21 ' A' ' 101' ' ' THR . 56.6 t -90.74 115.14 29.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.541 ' HB ' HG13 ' A' ' 95' ' ' VAL . 21.5 m -117.35 8.79 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -175.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.11 160.66 14.7 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.512 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -125.53 62.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.47 0.653 . . . . 0.0 111.596 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -159.2 -169.37 2.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.998 172.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -96.49 107.15 19.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 66.73 44.5 2.15 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.725 0.641 . . . . 0.0 110.865 -176.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.594 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 24.3 tt0 -129.26 133.76 47.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.881 178.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.572 ' CG2' HD21 ' A' ' 57' ' ' LEU . 94.8 t -124.92 102.79 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.226 0.536 . . . . 0.0 110.682 -177.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.548 ' HB2' HD13 ' A' ' 99' ' ' LEU . 15.0 m-20 -82.41 158.83 23.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.041 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -101.99 -31.87 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -171.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -82.02 -3.6 54.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -170.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 96' ' ' ASP . 8.1 mp -78.39 101.94 7.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.164 0.507 . . . . 0.0 110.515 176.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -104.4 87.34 2.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.556 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.528 HG21 ' HB ' ' A' ' 87' ' ' VAL . 3.9 t -127.09 141.23 40.08 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.57 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.74 169.26 19.29 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.509 2.14 . . . . 0.0 111.806 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.44 152.5 19.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -112.03 141.45 45.69 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -62.82 -61.76 2.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.42 0.45 . . . . 0.0 111.686 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.4 p -100.36 141.45 33.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.011 0.434 . . . . 0.0 111.539 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.491 HG11 HG13 ' A' ' 40' ' ' VAL . 11.2 p -63.45 -25.31 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.502 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -62.49 -54.58 37.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.074 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.2 m -61.74 -38.41 87.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.463 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 51.0 tp -63.76 -56.55 14.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.694 -177.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.461 HD21 HG13 ' A' ' 48' ' ' VAL . 36.0 tp -68.74 -25.43 64.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 111.209 -174.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -81.59 -30.64 32.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.508 1.147 . . . . 0.0 108.154 -175.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 5.1 m -66.07 -28.47 68.86 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 113.191 -1.822 . . . . 0.0 110.468 170.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 87.4 mt -85.76 -63.09 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.669 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.7 p -113.32 109.6 51.37 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.361 -175.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.15 -15.1 37.51 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 123.037 2.491 . . . . 0.0 112.138 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.0 -12.24 47.99 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.76 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -55.65 -49.22 73.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.621 176.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -63.4 -40.8 98.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.231 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -69.09 -40.31 78.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.962 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.75 -46.98 56.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 42.7 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.698 -177.117 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.583 ' OD1' ' HB2' ' A' ' 34' ' ' ARG . 14.6 t70 . . . . . 0 C--O 1.233 0.19 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.0 tpp -66.79 -19.83 65.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.775 -173.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.583 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 48.6 mtt180 -60.64 -35.94 77.43 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.658 0.266 . . . . 0.0 111.046 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.25 -53.81 22.04 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.436 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -61.91 -24.03 66.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.096 176.008 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -72.81 -49.86 27.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.254 177.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.56 -40.89 93.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.183 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.5 -46.47 76.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.971 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 36' ' ' GLU . 68.3 t -65.08 -46.76 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.536 HG13 ' HB2' ' A' ' 51' ' ' MET . 78.8 t -54.66 -42.78 62.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.622 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -80.4 -33.67 36.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.343 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.94 -54.48 29.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.743 -173.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.54 17.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.897 0.379 . . . . 0.0 111.356 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 50.0 tp -55.88 -40.47 73.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.843 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.458 ' CD2' ' HB1' ' A' ' 121' ' ' ALA . 51.7 p90 -77.07 -3.42 39.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.756 -174.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.06 -19.73 29.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.025 0.44 . . . . 0.0 110.306 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.65 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.3 m -126.98 -168.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.222 -176.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.99 -56.99 3.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.106 0.479 . . . . 0.0 110.387 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -155.64 144.35 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.713 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.536 ' HB2' HG13 ' A' ' 41' ' ' VAL . 85.1 mtp -127.18 147.43 50.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.415 175.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -149.04 177.55 9.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -176.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -114.54 131.56 66.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.482 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 17.2 m -69.99 107.04 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.533 0.683 . . . . 0.0 111.012 -175.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -98.82 16.35 22.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.582 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -102.85 1.0 33.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.418 HD13 ' HB3' ' A' ' 54' ' ' SER . 4.8 mp -130.53 -148.38 0.36 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.793 -178.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -116.99 136.82 52.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.962 0.411 . . . . 0.0 110.665 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 64' ' ' ALA . 3.5 p -155.8 117.15 3.92 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.96 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.92 -60.5 0.16 Allowed 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.689 0.757 . . . . 0.0 111.712 -177.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -121.69 -67.3 0.97 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.392 -162.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -98.54 -19.68 17.48 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.871 0.367 . . . . 0.0 111.058 -173.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.3 p -139.0 140.2 38.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.121 -174.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.553 ' HA ' ' HB3' ' A' ' 59' ' ' CYS . . . -142.91 120.05 11.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.891 172.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.482 ' HB2' ' HB2' ' A' ' 54' ' ' SER . 96.8 m-85 -86.53 126.89 34.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.08 132.14 69.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.205 0.526 . . . . 0.0 110.846 -176.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -87.98 125.67 34.66 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.173 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.504 HG13 ' HB2' ' A' ' 76' ' ' TYR . 4.9 p -131.63 115.18 27.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.361 0.601 . . . . 0.0 110.926 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.65 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 34.9 tt0 -101.58 106.27 17.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.654 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.496 ' HA ' HG12 ' A' ' 48' ' ' VAL . 72.4 p -69.7 176.87 3.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.386 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -74.54 3.75 7.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.086 0.47 . . . . 0.0 111.129 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -89.73 -6.19 56.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER 72.35 13.19 5.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.656 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.413 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 58.7 t30 -92.64 131.91 37.34 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.413 ' NH1' ' HA ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -97.55 122.41 40.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.295 -173.638 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.504 ' HB2' HG13 ' A' ' 68' ' ' VAL . 85.2 m-85 -107.72 150.24 27.18 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.905 0.383 . . . . 0.0 110.604 176.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.4 m -108.66 115.42 30.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.654 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 86.6 mt -102.34 131.01 49.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.925 0.393 . . . . 0.0 111.154 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -93.73 99.21 11.65 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.7 tp -89.02 115.96 26.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.182 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.9 p -132.54 -170.43 2.43 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.004 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.427 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 6.6 pt-20 -78.92 -2.85 41.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.267 0.556 . . . . 0.0 110.47 174.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.24 -6.73 40.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.152 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.14 -156.8 15.42 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.413 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.37 135.21 47.16 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.701 ' HD2' ' HE1' ' A' ' 103' ' ' TYR . 39.6 tttt -140.38 115.91 10.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.094 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.14 118.83 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.323 0.583 . . . . 0.0 110.649 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.586 HG12 ' HE2' ' A' ' 86' ' ' LYS . 17.9 m -113.71 7.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.628 -175.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -174.58 156.13 22.43 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.858 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -124.28 40.37 3.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.91 0.862 . . . . 0.0 110.13 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -139.96 -175.58 4.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.468 172.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -95.9 110.89 23.01 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.41 54.83 1.46 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.747 0.655 . . . . 0.0 110.61 -176.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.573 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 24.4 tt0 -142.99 103.47 4.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.231 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.537 HG13 ' HB ' ' A' ' 88' ' ' VAL . 77.8 t -99.61 117.95 45.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.824 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 30.5 t70 -112.33 144.53 41.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.21 -172.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -70.16 -21.01 63.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.189 -177.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -83.7 -8.18 59.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.129 -0.357 . . . . 0.0 111.136 -173.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.499 ' CD1' ' HB3' ' A' ' 96' ' ' ASP . 4.6 mp -95.17 90.7 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.353 0.597 . . . . 0.0 111.662 177.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -112.85 75.86 0.94 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.928 0.871 . . . . 0.0 109.097 171.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.7 p -89.72 160.69 40.83 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 114.543 -1.208 . . . . 0.0 112.469 -171.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.38 124.28 13.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.703 2.268 . . . . 0.0 112.263 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.701 ' HE1' ' HD2' ' A' ' 86' ' ' LYS . 5.2 m-85 -72.23 130.31 40.5 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.848 -178.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.44 144.57 44.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -74.62 -44.44 50.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.122 0.487 . . . . 0.0 111.513 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.1 p -107.04 138.71 42.69 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.336 -174.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.69 -26.06 38.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.144 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -59.8 -58.03 10.31 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.319 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.2 m -74.32 -3.9 33.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.568 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 113' ' ' THR . 47.0 tp -95.96 -53.65 3.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.919 0.39 . . . . 0.0 110.786 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.452 HD21 HG13 ' A' ' 48' ' ' VAL . 38.2 tp -69.99 -21.02 63.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.983 -175.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.46 -23.83 50.37 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.498 1.142 . . . . 0.0 108.277 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 1.3 m -79.82 -27.78 40.21 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 113.294 -1.775 . . . . 0.0 110.654 173.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.9 mt -83.79 -53.24 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 -176.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.2 t -122.77 116.78 28.96 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 120.765 0.317 . . . . 0.0 110.577 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.21 -21.49 60.12 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 123.139 2.559 . . . . 0.0 112.395 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.86 -11.01 60.06 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.957 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -57.7 -42.07 82.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.559 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -65.07 -32.34 74.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.162 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.62 -43.88 79.35 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.458 ' HB1' ' CD2' ' A' ' 46' ' ' PHE . . . -64.18 -36.45 84.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.525 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.34 177.699 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 11.5 t0 . . . . . 0 C--O 1.233 0.223 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -15.15 60.43 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.505 -175.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -60.36 -43.4 96.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.832 0.349 . . . . 0.0 110.227 179.592 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 4.9 mt -77.85 -38.86 45.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.511 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 5.9 mm-40 -57.59 -29.28 64.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -73.92 -49.99 22.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.249 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 36.4 mt-10 -62.25 -33.95 75.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.972 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.99 73.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.758 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.04 -47.56 93.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 95.5 t -57.61 -49.51 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.603 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -78.63 -10.29 59.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -172.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -81.46 -44.88 16.82 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.245 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.1 m -112.63 15.11 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.563 -176.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.5 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 6.1 tt -58.21 -34.61 70.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.397 -176.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -75.62 -12.23 60.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.736 0.303 . . . . 0.0 111.452 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.445 ' HA ' ' CB ' ' A' ' 121' ' ' ALA . . . -82.49 -15.81 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.056 0.455 . . . . 0.0 110.782 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.584 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 23.4 m -117.64 -168.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.014 177.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -88.87 -51.05 5.84 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.371 0.605 . . . . 0.0 109.52 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -141.68 155.23 45.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.036 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.432 ' HB3' ' HG ' ' A' ' 45' ' ' LEU . 18.3 ttt -163.87 129.41 2.99 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -161.19 161.08 30.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.744 0.306 . . . . 0.0 110.664 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.5 p -68.49 134.92 29.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 172.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.512 ' CB ' HD23 ' A' ' 57' ' ' LEU . 4.4 m -55.19 -55.44 31.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.66 -174.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 70.62 10.12 7.04 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.681 0.753 . . . . 0.0 110.493 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -118.81 17.39 13.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.934 0.873 . . . . 0.0 109.571 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.608 ' HG ' ' CB ' ' A' ' 65' ' ' TYR . 4.4 mm? -118.64 -148.51 0.42 Allowed 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.547 -177.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.496 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -130.73 96.03 3.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.537 0.684 . . . . 0.0 109.882 175.245 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.4 p -88.27 90.51 8.42 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.134 175.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.37 -76.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.2 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' HA ' ' NH1' ' A' ' 34' ' ' ARG . 17.9 m-20 -155.41 -57.8 0.1 Allowed 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -176.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -105.03 20.51 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.554 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.6 p -143.18 137.85 26.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.342 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.37 132.16 13.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.946 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.608 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 92.5 m-85 -92.64 133.55 35.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.163 0.506 . . . . 0.0 110.915 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 72.9 mt -125.82 136.63 60.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.106 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 92' ' ' PHE . 7.8 m120 -108.82 130.66 55.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.28 0.562 . . . . 0.0 110.801 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.48 138.41 51.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.549 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.584 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 35.2 tt0 -117.1 108.61 15.93 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.364 177.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.0 p -67.47 167.73 12.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.589 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 68.7 mttm -70.05 -4.73 22.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.412 0.625 . . . . 0.0 110.455 177.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 42.6 tt0 -91.22 3.06 55.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.405 177.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 72' ' ' GLU . 80.1 mtt180 70.99 -1.55 2.64 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.459 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -84.12 129.61 34.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -105.26 148.51 26.91 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.892 -172.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 72.1 m-85 -130.64 150.47 51.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.33 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 34.6 t -114.19 117.23 30.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.501 HD22 HD21 ' A' ' 110' ' ' LEU . 80.6 mt -116.14 131.23 57.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 0.0 111.644 -172.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 36.2 tt0 -94.27 111.73 23.49 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.467 175.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -88.18 119.72 28.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.5 p -139.58 178.89 6.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.364 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.93 -36.67 84.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 109.831 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.11 -22.63 65.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.828 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.38 -149.75 20.05 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.872 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.75 122.58 48.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.822 0.344 . . . . 0.0 110.199 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 80.5 tttt -111.68 126.43 55.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.678 -175.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.85 106.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.8 m -101.93 0.57 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.151 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 163.21 -178.07 38.98 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.001 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -131.18 40.77 3.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.509 0.671 . . . . 0.0 110.808 -179.763 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -152.36 170.3 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.403 175.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.457 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 24.0 m-85 -68.73 146.57 52.83 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 49.66 24.88 1.3 Allowed 'General case' 0 N--CA 1.474 0.767 0 O-C-N 124.05 0.844 . . . . 0.0 112.649 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -103.65 112.12 24.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.055 0.455 . . . . 0.0 110.686 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.3 t -127.3 102.43 9.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.437 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.677 ' OD2' ' HB2' ' A' ' 98' ' ' HIS . 38.7 t70 -123.79 122.06 37.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -177.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.75 16.8 8.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.493 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.677 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 63.2 m80 -78.89 -28.24 44.05 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 169.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.5 mp -69.76 118.38 12.55 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.232 169.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -90.88 29.06 1.41 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.342 0.592 . . . . 0.0 109.903 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.501 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.6 OUTLIER -71.36 117.5 57.52 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.791 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 7.2 Cg_exo -72.79 160.32 46.46 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.786 2.324 . . . . 0.0 112.029 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.407 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -81.49 144.89 31.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.259 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -99.43 157.99 16.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.78 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.21 -67.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 123.647 0.592 . . . . 0.0 111.59 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.2 p -112.73 167.47 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -70.92 -23.87 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.097 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -69.62 -51.94 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.148 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.5 m -69.41 -9.1 52.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.151 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.501 HD21 HD22 ' A' ' 78' ' ' LEU . 62.2 tp -95.71 -57.32 2.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.201 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 118' ' ' TYR . 17.0 tp -62.5 -22.64 66.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 0.0 110.075 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -54.45 -41.26 69.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.244 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 110' ' ' LEU . 12.1 t -94.91 -5.06 45.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.846 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 86.8 mt -90.78 -36.79 14.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.336 . . . . 0.0 111.472 -176.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.7 t -148.7 128.37 6.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.905 0.383 . . . . 0.0 111.043 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.34 -18.57 44.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 111.495 175.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -71.81 -21.84 61.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.821 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.439 ' CD1' HD23 ' A' ' 111' ' ' LEU . 48.0 t80 -61.7 -38.82 89.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.394 0.616 . . . . 0.0 109.805 175.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -68.45 -24.52 64.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.424 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -76.55 -55.81 5.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.135 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' A' ' 47' ' ' ALA . . . -62.04 -35.74 79.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.429 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.401 . . . . 0.0 110.377 178.354 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 4.5 m-20 . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.465 ' SD ' ' HA ' ' A' ' 81' ' ' THR . 6.5 ttm -71.26 -20.08 62.27 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.887 -177.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -58.41 -35.1 71.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.687 169.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER -78.37 -46.52 19.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.612 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 40' ' ' VAL . 42.9 mt-10 -57.84 -30.28 65.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.956 177.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -72.84 -48.98 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.487 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.67 -39.7 77.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.93 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.84 77.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.103 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 36' ' ' GLU . 78.0 t -62.97 -39.35 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.218 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.577 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 53.9 t -56.06 -33.49 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.341 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -88.35 -24.18 23.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.422 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -80.92 -55.93 4.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.566 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.9 m -88.97 4.99 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.709 0.29 . . . . 0.0 111.682 -173.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 61.7 tp -61.21 -26.66 67.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.066 0.46 . . . . 0.0 110.74 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -72.25 -14.22 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.716 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.31 -10.33 21.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.81 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.587 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 35.4 m -123.14 -170.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.671 0.272 . . . . 0.0 111.212 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -90.68 -56.53 3.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.159 0.504 . . . . 0.0 109.708 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -137.68 158.95 43.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.465 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.9 ttt -168.03 134.91 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -160.76 154.98 23.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.2 142.19 16.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.711 ' HB3' HD23 ' A' ' 57' ' ' LEU . 11.0 m -70.14 164.33 24.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 111.319 -175.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -122.15 -24.72 5.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.174 -171.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.541 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 50.8 m -111.1 25.24 11.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.716 0.77 . . . . 0.0 110.292 -172.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' A' ' 54' ' ' SER . 3.9 mm? -113.78 -147.19 0.41 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.718 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -133.18 131.95 41.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.218 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 78.4 m -130.04 46.28 2.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.746 0.784 . . . . 0.0 109.748 -176.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.78 82.32 7.88 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.833 -173.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 66.7 -72.99 0.08 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.082 0.864 . . . . 0.0 112.553 171.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.98 -19.54 54.3 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.385 0.674 . . . . 0.0 111.809 -173.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 13.3 p -129.81 144.67 37.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.668 -176.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.43 119.98 4.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.938 0.399 . . . . 0.0 110.733 171.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.671 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 74.5 m-85 -86.74 138.92 31.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.418 177.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.87 135.84 62.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.584 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 95.8 m-20 -97.33 108.02 20.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 p -113.77 138.52 43.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.091 0.472 . . . . 0.0 110.608 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.517 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.1 tt0 -120.9 101.02 7.42 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.73 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 77.1 p -65.27 164.0 14.26 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.571 -176.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.587 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 89.8 mttt -66.18 -23.44 66.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.941 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -74.82 4.17 6.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.892 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 67.18 21.55 9.99 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.463 0.649 . . . . 0.0 111.328 172.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -102.51 128.09 49.28 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 169.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HG2' ' HG3' ' A' ' 69' ' ' GLU . 29.2 mtm180 -96.24 146.1 25.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 97.6 m-85 -139.04 142.9 38.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.047 0.451 . . . . 0.0 110.664 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 23.5 t -105.56 109.09 20.93 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 172.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 74.5 mt -98.59 135.86 39.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.196 -173.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -94.13 100.36 12.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.4 tp -78.62 117.22 19.57 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.779 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.465 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 13.0 p -136.69 167.63 21.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.297 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -66.5 -20.33 66.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.958 0.409 . . . . 0.0 110.619 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.45 1.82 47.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.613 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.73 -171.25 15.07 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.764 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 85' ' ' LEU . 5.3 mp -107.42 123.45 48.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' A' ' 103' ' ' TYR . 22.4 mttp -113.59 149.36 34.63 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.64 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.2 t -88.87 104.07 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.796 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.74 -5.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.019 0.438 . . . . 0.0 110.905 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.12 165.04 35.75 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.636 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 4.6 p90 -128.16 27.65 5.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.669 0.747 . . . . 0.0 109.788 177.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.96 162.74 39.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.797 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.63 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 22.3 m-85 -68.42 119.2 12.53 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.247 -0.181 . . . . 0.0 110.672 -177.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.569 ' HA ' HD21 ' A' ' 57' ' ' LEU . 36.5 m-20 67.28 24.98 8.93 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.478 0.486 . . . . 0.0 111.867 174.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -122.46 107.08 11.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.57 0.224 . . . . 0.0 111.403 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.6 t -82.51 125.05 39.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 170.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.76 136.83 38.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.114 0.483 . . . . 0.0 111.391 -173.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -82.27 -13.44 57.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.761 -176.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -88.46 -22.39 23.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.044 0.449 . . . . 0.0 109.894 -176.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.423 HD11 ' HD2' ' A' ' 90' ' ' TYR . 35.6 mt -71.21 117.82 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.994 0.902 . . . . 0.0 112.095 -176.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -116.76 25.92 10.21 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.0 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.88 152.31 91.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 114.099 -1.409 . . . . 0.0 112.303 -175.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.55 -162.77 0.19 Allowed 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.879 2.386 . . . . 0.0 112.347 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.569 ' HB3' ' HG2' ' A' ' 86' ' ' LYS . 6.3 p90 -142.86 166.65 24.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.853 -177.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -120.21 161.64 20.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.343 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.556 ' CD ' ' H ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -82.99 -39.26 21.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.283 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.456 HG23 ' HG2' ' A' ' 105' ' ' GLU . 70.8 p -123.52 159.16 29.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.963 0.411 . . . . 0.0 110.843 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.09 -29.85 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -70.12 -47.75 60.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.2 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.6 t -67.59 -27.0 66.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.073 0.463 . . . . 0.0 110.176 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.9 tp -75.97 -52.34 10.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.495 ' HA ' HD12 ' A' ' 114' ' ' LEU . 14.9 tp -60.64 -29.27 69.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.141 0.496 . . . . 0.0 110.72 -176.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.61 -37.82 88.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.786 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.5 p -77.82 -9.97 59.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.003 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 70' ' ' THR . 36.4 mt -102.4 -29.94 11.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.186 -174.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.73 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 73.7 m -151.36 118.01 3.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.815 177.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.39 -18.06 59.26 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.809 2.339 . . . . 0.0 111.75 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.35 -13.6 62.4 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.688 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -56.2 -39.67 72.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.144 172.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 36.4 mtp85 -65.03 -37.75 88.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.886 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -77.18 -36.26 55.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.772 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -58.1 -61.33 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.979 0.418 . . . . 0.0 111.233 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.84 179.403 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t0 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.86 0.362 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 31.0 tpp -77.67 -31.38 52.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.545 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 55.3 ttt-85 -70.52 -33.22 70.94 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.7 tp -55.8 -57.48 11.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.745 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.3 mm-40 -58.57 -35.39 72.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.938 177.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.56 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -63.47 -53.62 49.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.213 -177.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.78 -37.13 73.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.492 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.3 -50.06 69.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.76 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 44' ' ' VAL . 57.7 t -60.08 -45.23 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.586 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.558 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 88.7 t -58.97 -33.4 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 111.266 -178.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -85.28 -24.23 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.019 0.438 . . . . 0.0 110.705 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -79.47 -57.98 3.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.503 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.8 m -85.68 4.05 3.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.587 -173.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.4 tp -56.75 -37.82 71.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.037 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -69.37 -24.59 63.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.84 -9.26 49.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.051 0.453 . . . . 0.0 111.345 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.6 m -117.32 -167.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.862 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -100.58 -49.1 4.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.466 ' HB2' ' HB3' ' A' ' 69' ' ' GLU . 0.7 OUTLIER -139.11 161.01 38.44 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 177.545 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.558 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 12.0 ttt -170.12 129.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.607 ' HE2' ' HE3' ' A' ' 55' ' ' LYS . 59.3 t80 -159.43 143.91 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.562 HG12 HG12 ' A' ' 66' ' ' ILE . 27.7 m -69.45 157.99 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.071 0.462 . . . . 0.0 111.304 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.485 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 6.8 m -79.5 164.06 24.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.373 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.607 ' HE3' ' HE2' ' A' ' 52' ' ' PHE . 98.9 mttt -128.49 -17.74 4.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.44 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -95.07 -5.58 44.0 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 65' ' ' TYR . 64.3 mt -106.02 -144.24 0.38 Allowed 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 113.883 -1.508 . . . . 0.0 109.31 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.419 ' H ' ' HD2' ' A' ' 65' ' ' TYR . 21.7 ptt-85 -153.16 158.53 41.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.326 0.584 . . . . 0.0 111.304 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 1.4 p -154.43 85.43 1.13 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.148 178.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -143.11 102.34 3.98 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.621 -176.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 76.93 -66.66 0.24 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.615 168.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.01 -28.02 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -171.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 11.4 p -136.3 149.49 27.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.83 0.348 . . . . 0.0 111.14 -172.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . . . -140.96 109.2 5.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.224 173.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.603 ' HB3' HD13 ' A' ' 57' ' ' LEU . 57.6 m-85 -86.68 119.53 27.01 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.496 177.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.562 HG12 HG12 ' A' ' 53' ' ' VAL . 46.5 mt -128.06 141.12 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -175.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 77.8 m-20 -100.44 119.09 37.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.407 HG23 ' HG3' ' A' ' 51' ' ' MET . 9.8 p -117.96 134.76 60.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.361 0.601 . . . . 0.0 111.625 -178.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 43.3 tt0 -116.49 98.63 6.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.306 176.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.54 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 42.6 p -63.63 174.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.551 -177.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.4 -8.52 54.31 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.324 0.583 . . . . 0.0 110.182 176.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -81.24 -8.55 59.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.145 172.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 64.79 11.53 6.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.405 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -87.14 123.58 32.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.526 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 83.6 mtm180 -98.94 128.86 45.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.726 -170.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -127.67 145.38 50.91 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.536 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.1 p -103.53 127.48 50.93 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.0 mt -111.79 136.13 51.46 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.398 -173.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -95.25 95.92 8.83 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.772 -1.103 . . . . 0.0 108.832 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 65.9 tp -79.35 116.41 19.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.165 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 p -126.22 171.6 10.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.573 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -9.73 58.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.735 0.302 . . . . 0.0 111.384 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.38 -21.98 25.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.886 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.94 -173.25 27.19 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.878 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.08 127.47 47.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.149 0.5 . . . . 0.0 110.805 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HB2' ' CD1' ' A' ' 103' ' ' TYR . 28.3 tttm -126.19 138.61 53.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.209 -177.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.02 139.71 17.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' A' ' 95' ' ' VAL . 10.5 m -120.5 -16.17 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.62 -178.16 41.8 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.359 -0.924 . . . . 0.0 112.193 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -122.34 35.33 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.159 0.504 . . . . 0.0 110.167 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -153.36 -166.1 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.716 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.526 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 15.6 m-30 -91.86 129.54 37.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.769 178.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 54' ' ' SER . 2.6 m-20 57.6 49.89 11.84 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.871 0.732 . . . . 0.0 111.69 174.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -126.8 130.46 50.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.491 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.487 ' HA ' ' HB ' ' A' ' 88' ' ' VAL . 88.7 t -131.27 110.32 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.902 0.382 . . . . 0.0 110.833 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -98.96 131.8 44.75 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.372 174.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -80.82 -9.43 59.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.813 0.339 . . . . 0.0 111.423 -173.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -86.39 -22.12 26.78 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 99' ' ' LEU . 58.1 mt -74.04 115.05 13.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.413 0.625 . . . . 0.0 110.722 176.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -126.43 40.16 3.78 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.748 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 67.2 p -54.46 135.41 62.18 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.15 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 32.0 Cg_exo -57.32 123.73 14.49 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.851 2.367 . . . . 0.0 111.918 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.405 ' CD1' ' HB2' ' A' ' 86' ' ' LYS . 83.8 m-85 -52.96 123.88 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.395 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -79.18 150.39 31.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -54.3 -62.25 1.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.926 0.766 . . . . 0.0 111.083 -172.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.5 p -130.36 178.6 6.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.815 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -66.65 -26.58 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.1 0.476 . . . . 0.0 109.862 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -72.31 -49.72 32.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.555 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.1 p -75.74 -1.85 26.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.086 0.47 . . . . 0.0 111.104 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 43.9 tp -95.9 -44.04 7.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.242 0.544 . . . . 0.0 110.05 171.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 tp -74.2 -16.73 60.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.772 -176.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.4 ' OD2' ' HD3' ' A' ' 119' ' ' ARG . 8.9 t70 -77.79 -20.6 53.0 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -177.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 m -87.59 -20.17 26.78 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 112.918 -1.946 . . . . 0.0 110.77 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.437 ' HB3' HG21 ' A' ' 70' ' ' THR . 91.3 mt -102.58 -40.26 6.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.185 -174.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.54 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 60.1 m -139.49 106.88 7.12 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.848 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.67 -13.34 38.49 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.743 2.296 . . . . 0.0 111.301 175.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.72 -14.4 62.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.368 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.92 -44.99 82.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.514 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.4 ' HD3' ' OD2' ' A' ' 112' ' ' ASP . 18.4 mtm180 -76.01 -34.01 59.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.095 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -62.91 -48.63 78.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.793 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.11 86.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.993 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 78.1 t80 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.426 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 29.2 m-20 . . . . . 0 N--CA 1.464 0.237 0 CA-C-O 120.525 0.202 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 26.2 tpp -66.09 -19.03 65.72 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 120.927 0.394 . . . . 0.0 110.668 -178.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.56 -38.93 86.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.016 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 1.4 mt -78.21 -45.62 22.55 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.902 -177.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.41 -33.13 67.56 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.635 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.49 -49.84 65.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.201 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.31 -41.58 93.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.572 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.41 96.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.97 -47.48 90.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.049 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.32 -43.59 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.661 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -86.48 1.69 50.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.726 -176.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -93.49 -45.66 7.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -108.92 19.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.539 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.18 -30.62 64.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.928 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -82.71 -3.1 55.96 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.92 -0.22 51.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.284 0.564 . . . . 0.0 110.419 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.56 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 34.0 m -139.36 179.6 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.678 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -75.74 -63.2 1.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -138.26 151.92 48.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.17 177.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.4 ttt -154.17 135.44 14.06 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -160.66 160.8 31.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.617 0.246 . . . . 0.0 110.418 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.73 134.63 29.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 174.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.559 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 17.2 m -58.82 126.78 29.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.079 0.466 . . . . 0.0 112.227 -171.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -94.05 -3.46 51.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.412 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 m -109.05 3.85 22.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 109.257 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' A' ' 65' ' ' TYR . 37.1 mt -126.03 -149.97 0.43 Allowed 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.988 -174.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.6 ptt85 -150.86 172.35 15.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.269 0.557 . . . . 0.0 111.734 -173.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.0 p -141.93 131.27 23.61 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.296 174.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' HB3' HG12 ' A' ' 63' ' ' VAL . . . -118.2 14.81 14.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.6 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' ' 33' ' ' MET . 66.7 m-20 70.98 -28.51 0.18 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.588 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 60' ' ' ALA . 10.8 t70 -79.46 -24.69 42.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.904 0.859 . . . . 0.0 108.768 166.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.468 HG12 ' HB3' ' A' ' 60' ' ' ALA . 14.7 p -143.37 146.25 21.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.099 -176.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.64 118.44 11.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.413 175.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.683 ' HB3' HD13 ' A' ' 57' ' ' LEU . 71.2 m-85 -87.57 124.43 33.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.773 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.0 mt -123.48 138.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.803 -175.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -107.43 124.51 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.03 176.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.86 138.64 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.118 0.485 . . . . 0.0 111.007 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.531 ' HB2' ' HZ ' ' A' ' 92' ' ' PHE . 41.2 tt0 -128.37 108.72 10.8 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 71.9 p -70.36 172.47 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.771 -174.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.525 ' HD3' ' HB1' ' A' ' 117' ' ' ALA . 43.5 mtpt -60.85 -28.99 69.24 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.107 0.479 . . . . 0.0 110.675 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' OE1' ' HD2' ' A' ' 116' ' ' PRO . 36.4 mt-10 -82.59 6.78 16.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.617 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 68.78 16.67 8.9 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.898 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -85.14 115.47 22.96 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -96.36 138.47 33.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.138 -172.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -131.53 150.82 52.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.843 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.2 t -114.94 121.44 43.19 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 173.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -111.05 131.05 55.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.417 0.627 . . . . 0.0 112.023 -171.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.527 ' HG2' HG23 ' A' ' 81' ' ' THR . 45.6 tt0 -101.6 97.56 7.97 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.916 173.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.447 HD13 ' HG ' ' A' ' 85' ' ' LEU . 52.0 tp -78.7 115.97 18.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.903 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.527 HG23 ' HG2' ' A' ' 79' ' ' GLU . 23.4 p -129.94 -171.4 2.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.901 -176.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -65.62 -19.69 66.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 110.726 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.04 5.28 52.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.18 -147.13 16.74 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.99 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.447 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.3 mp -96.97 124.67 41.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 110.226 -178.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.616 ' HD2' ' HE1' ' A' ' 103' ' ' TYR . 62.3 tttt -121.05 142.07 50.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.94 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.547 ' HB ' HG21 ' A' ' 101' ' ' THR . 95.4 t -89.07 116.56 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.497 ' HB ' HG13 ' A' ' 95' ' ' VAL . 9.4 m -107.51 -1.53 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.891 0.377 . . . . 0.0 111.367 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -177.88 163.97 32.6 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.07 -1.062 . . . . 0.0 112.595 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -120.22 33.85 5.44 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.868 0.842 . . . . 0.0 109.561 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -158.33 159.96 36.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.288 176.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.531 ' HZ ' ' HB2' ' A' ' 69' ' ' GLU . 78.5 m-85 -72.73 130.54 40.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 t0 70.01 21.05 6.31 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.771 0.796 . . . . 0.0 110.289 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.438 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 34.0 tt0 -111.28 105.73 14.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.428 177.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.497 HG13 ' HB ' ' A' ' 88' ' ' VAL . 75.4 t -132.8 118.19 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.094 0.473 . . . . 0.0 111.913 -175.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.763 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 9.2 t70 -107.29 120.88 43.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 169.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -68.51 -31.02 69.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.195 -171.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -101.05 9.83 41.7 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -170.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.763 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 21.2 mt -65.08 116.93 6.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.022 0.439 . . . . 0.0 110.895 177.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -87.86 89.4 7.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.95 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.547 HG21 ' HB ' ' A' ' 87' ' ' VAL . 20.0 p -108.31 159.35 31.02 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.502 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -66.42 102.6 0.6 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.089 1.86 . . . . 0.0 112.809 -176.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.616 ' HE1' ' HD2' ' A' ' 86' ' ' LYS . 19.8 m-85 -63.54 122.26 15.87 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.965 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -123.19 132.2 53.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -77.29 -10.16 59.26 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.196 -172.407 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.7 p -127.28 142.86 51.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.157 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.61 -28.01 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.825 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -64.52 -49.13 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.128 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.6 t -61.65 -34.55 75.9 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.691 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.2 tp -76.02 -55.2 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.568 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.8 tp -62.69 -28.23 69.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.885 0.374 . . . . 0.0 110.517 -174.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.24 -38.66 85.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.777 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.6 p -76.61 -5.64 48.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.538 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 48.0 mt -115.47 -49.1 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.538 ' OG ' HG21 ' A' ' 70' ' ' THR . 35.9 m -128.98 124.8 22.61 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -173.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.494 ' HD2' ' OE1' ' A' ' 72' ' ' GLU . 42.9 Cg_endo -68.77 -16.2 41.51 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.827 2.351 . . . . 0.0 111.852 176.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.525 ' HB1' ' HD3' ' A' ' 71' ' ' LYS . . . -64.77 -24.37 67.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.309 0.576 . . . . 0.0 110.023 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -60.51 -50.94 71.57 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.044 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.47 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.05 -48.48 81.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.626 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.0 -43.29 19.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.454 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.4 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.549 -178.03 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.518 ' OD1' ' HB2' ' A' ' 34' ' ' ARG . 8.6 t70 . . . . . 0 C--O 1.235 0.318 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.512 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 27.0 tpp -66.41 -19.44 65.8 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -177.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.518 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 77.2 mtm180 -70.3 -32.91 70.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.413 -175.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 5.9 mt -65.58 -52.52 51.63 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.372 0.606 . . . . 0.0 109.494 177.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.93 -31.99 69.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.545 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -67.97 -52.71 32.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.521 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.94 -37.14 86.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.888 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.36 97.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.062 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.519 HG13 HG11 ' A' ' 107' ' ' VAL . 37.0 t -65.54 -49.12 79.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.903 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 69.7 t -53.71 -53.89 23.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.669 -176.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.88 -34.19 77.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.672 -175.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.01 -50.14 37.38 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -171.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.8 m -96.36 4.89 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.589 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 7.6 tt -62.0 -28.91 69.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.961 0.41 . . . . 0.0 110.612 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -66.96 -19.63 65.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.473 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.83 7.52 37.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 111.509 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 31.8 m -130.58 -178.14 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -89.25 -37.83 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.105 0.479 . . . . 0.0 110.238 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -159.72 151.96 20.88 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.7 ttt -165.68 130.5 2.39 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -158.88 161.61 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.588 0.232 . . . . 0.0 110.617 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.21 140.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.604 ' CB ' HD23 ' A' ' 57' ' ' LEU . 8.6 m -72.66 160.63 31.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.898 -175.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -127.54 -4.22 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -172.377 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.536 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 4.5 m -110.51 12.53 22.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.534 0.683 . . . . 0.0 110.284 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.65 ' HG ' ' CB ' ' A' ' 65' ' ' TYR . 3.7 mm? -109.28 -150.74 0.46 Allowed 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.031 -176.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.423 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -140.83 130.01 23.52 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.789 175.633 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.7 m -122.72 88.72 2.98 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.48 176.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -96.86 19.71 12.2 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.71 -175.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 33' ' ' MET . 80.4 m-20 78.6 -24.96 0.2 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.521 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.05 -33.46 73.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 168.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 p -143.76 154.47 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.355 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.07 117.35 4.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.003 172.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.65 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 86.5 m-85 -86.89 128.7 35.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.061 0.457 . . . . 0.0 110.917 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.5 mt -118.09 132.65 67.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.612 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.576 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 84.6 m-20 -95.57 112.28 24.03 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 11.2 p -113.33 142.23 26.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.0 0.429 . . . . 0.0 110.708 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.5 tt0 -135.28 105.66 6.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.626 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 81.5 p -72.91 -177.18 2.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.58 -175.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -68.84 -21.65 64.27 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.956 0.407 . . . . 0.0 110.461 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -72.5 -5.97 40.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.08 174.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 66.23 20.06 11.08 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.216 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -92.76 119.26 31.95 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.678 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -96.41 141.45 29.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.068 -176.644 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -137.42 146.97 45.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.811 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.6 t -101.19 117.28 34.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 70.0 mt -106.44 131.84 53.16 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.169 0.509 . . . . 0.0 111.454 -174.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.69 107.89 19.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.483 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.0 tp -89.19 115.34 26.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.997 0.427 . . . . 0.0 110.553 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 p -137.69 -169.13 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.423 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.72 -17.81 64.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.988 0.423 . . . . 0.0 110.771 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.48 -12.67 57.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.738 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.54 -146.01 17.8 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.783 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 85' ' ' LEU . 5.8 mp -105.38 118.36 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.835 0.35 . . . . 0.0 110.27 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 34.2 ttpt -113.78 138.0 50.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.472 -178.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.8 t -81.0 107.35 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 110.191 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.539 ' HB ' HG13 ' A' ' 95' ' ' VAL . 26.8 m -97.13 -10.34 8.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -173.77 160.61 30.78 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.079 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -109.07 35.56 3.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.492 0.663 . . . . 0.0 110.425 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -150.7 169.66 21.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.933 176.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.576 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 83.3 m-85 -74.16 125.45 28.39 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.497 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.614 ' HA ' HD21 ' A' ' 57' ' ' LEU . 13.5 m-20 65.63 19.39 11.44 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.65 0.594 . . . . 0.0 111.103 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -100.26 115.36 29.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.684 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.539 HG13 ' HB ' ' A' ' 88' ' ' VAL . 86.6 t -120.18 117.13 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.545 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.475 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 10.0 t70 -98.64 126.71 44.32 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -65.44 -26.9 68.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.992 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -95.43 3.46 54.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.362 -174.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.475 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 21.6 mt -89.72 114.58 26.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.15 0.5 . . . . 0.0 110.908 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -124.79 77.13 1.57 Allowed 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -85.83 157.11 57.95 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.926 -176.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -68.73 107.83 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.432 2.088 . . . . 0.0 111.625 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.552 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 1.0 OUTLIER -78.22 153.53 31.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.841 -179.061 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -120.65 143.34 48.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.32 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.454 ' HG3' ' H ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -62.92 -29.47 70.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -172.199 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.8 p -131.4 158.68 40.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.643 0.259 . . . . 0.0 110.76 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.519 HG11 HG13 ' A' ' 40' ' ' VAL . 10.3 p -65.24 -29.54 47.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.296 177.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -60.74 -53.69 54.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.26 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.5 m -60.17 -32.26 70.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.399 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.402 ' O ' ' HB ' ' A' ' 113' ' ' THR . 61.2 tp -73.78 -54.39 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.149 -176.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.67 -19.86 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.005 0.431 . . . . 0.0 111.259 -177.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.29 -18.15 53.25 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.966 1.365 . . . . 0.0 108.138 -177.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 55.3 m -93.94 -14.96 25.4 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 112.704 -2.044 . . . . 0.0 110.665 -178.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.9 mt -114.83 -44.2 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -174.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 118' ' ' TYR . 63.8 m -108.59 117.19 54.86 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.134 0.492 . . . . 0.0 112.318 -172.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 38.3 Cg_endo -69.52 -33.01 18.42 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.434 2.089 . . . . 0.0 111.292 172.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.25 -19.4 59.76 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.004 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.497 ' HB2' ' HB2' ' A' ' 115' ' ' SER . 75.1 t80 -59.31 -43.68 92.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.752 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -67.55 -35.37 78.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.508 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -72.31 -49.84 31.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.635 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.42 -31.96 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.96 -175.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.5 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 0.0 110.642 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.711 ' HA ' ' HA ' ' A' ' 61' ' ' ASP . 8.1 t70 . . . . . 0 C--O 1.233 0.221 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.594 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 22.2 tpp -64.26 -6.43 6.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.284 -171.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.653 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 3.5 ttm180 -53.95 -42.09 68.51 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.026 0.53 . . . . 0.0 110.974 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 32' ' ' ASP . 3.1 mt -63.48 -50.58 69.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.144 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.45 -30.15 70.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.815 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -68.3 -53.75 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.093 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.27 -29.14 68.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.039 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.69 -56.45 17.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.288 174.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.508 ' O ' HG22 ' A' ' 44' ' ' VAL . 78.7 t -55.27 -40.77 57.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.309 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.61 HG21 HG13 ' A' ' 53' ' ' VAL . 97.7 t -55.8 -36.65 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.539 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.49 -43.59 14.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.75 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.38 -44.72 80.48 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.241 -175.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 40' ' ' VAL . 33.5 m -106.85 16.36 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.851 -177.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 62.2 tp -59.1 -46.46 88.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 111.489 -177.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.535 ' HD1' ' HB1' ' A' ' 121' ' ' ALA . 45.3 p90 -75.69 -8.41 56.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.78 -175.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.7 -16.64 35.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.074 0.464 . . . . 0.0 110.708 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.571 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 26.9 m -122.67 -169.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.657 -178.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 54.8 t30 -94.01 -42.71 8.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.317 0.58 . . . . 0.0 109.733 178.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -149.01 143.23 25.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.906 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.544 ' HB3' HG13 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -136.58 118.0 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.177 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HD2' ' O ' ' A' ' 54' ' ' SER . 33.4 t80 -141.7 129.38 21.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.691 0.281 . . . . 0.0 110.807 -173.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.61 HG13 HG21 ' A' ' 41' ' ' VAL . 3.4 m -76.74 115.22 18.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.02 0.438 . . . . 0.0 110.921 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.616 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 1.2 m 52.82 -149.75 0.38 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.154 -177.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 54' ' ' SER . 2.6 ttpm? 166.55 -40.21 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.1 m -139.17 6.96 2.39 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 113.783 -1.553 . . . . 0.0 109.277 175.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 65' ' ' TYR . 25.4 mt -98.0 -144.81 0.31 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.454 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -165.86 167.38 16.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.83 0.348 . . . . 0.0 110.769 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.9 p -132.44 95.45 3.63 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.63 85.05 2.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.256 -174.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.711 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 24.7 t70 59.71 -82.28 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.154 0.908 . . . . 0.0 112.537 173.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.52 -30.72 63.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.329 -174.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.92 136.96 52.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.007 0.432 . . . . 0.0 111.456 -175.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 33' ' ' MET . . . -129.3 109.07 10.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.071 173.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.852 ' HB3' HD13 ' A' ' 57' ' ' LEU . 57.7 m-85 -86.27 119.06 26.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.92 0.39 . . . . 0.0 110.73 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.8 mt -120.88 140.82 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.798 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.538 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 91.2 m-20 -111.23 112.67 24.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.542 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.492 HG23 ' HG2' ' A' ' 51' ' ' MET . 10.7 p -118.33 142.5 32.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.253 0.549 . . . . 0.0 110.988 -176.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.571 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 33.9 tt0 -122.7 112.49 18.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.343 175.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.438 ' HA ' HG12 ' A' ' 48' ' ' VAL . 71.5 p -62.53 169.94 2.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.739 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 16.3 ptpt -76.08 -0.36 21.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.68 178.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 16.0 tt0 -85.9 -4.97 59.29 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 169.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 60.34 44.63 12.11 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.283 -174.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -109.28 132.7 53.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.555 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 3.7 mpt_? -96.97 129.69 44.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.049 0.452 . . . . 0.0 111.313 -170.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -133.13 129.41 37.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.226 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 12.2 t -97.2 116.62 29.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.8 mt -110.58 128.72 55.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.314 0.578 . . . . 0.0 111.571 -173.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -97.14 101.59 13.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.188 175.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 57.5 tp -83.21 117.84 23.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.15 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.1 p -138.05 -170.66 2.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.067 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.79 -14.4 62.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.965 0.412 . . . . 0.0 110.517 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.57 2.1 55.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.395 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.44 -143.81 15.82 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.075 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.459 ' HB2' HD22 ' A' ' 110' ' ' LEU . 5.7 mp -105.21 110.89 23.43 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -178.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.474 ' HE3' HG12 ' A' ' 88' ' ' VAL . 4.6 tmtm? -113.57 124.78 53.16 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.344 -176.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.24 128.26 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.694 -177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.501 HG21 HG22 ' A' ' 95' ' ' VAL . 13.2 m -114.31 -9.55 12.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.878 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.46 163.02 31.96 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.427 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -107.71 30.81 5.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.23 0.538 . . . . 0.0 110.205 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -153.52 163.47 39.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.679 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 17.2 m-85 -65.39 122.45 17.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.875 0.369 . . . . 0.0 110.987 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.587 ' HA ' HD11 ' A' ' 57' ' ' LEU . 14.2 m-20 66.77 24.16 9.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.451 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -98.69 108.54 21.26 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.501 HG22 HG21 ' A' ' 88' ' ' VAL . 86.2 t -122.11 115.09 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.83 0.348 . . . . 0.0 111.602 -176.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.471 ' OD2' ' HB2' ' A' ' 98' ' ' HIS . 31.5 t70 -126.49 111.96 15.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.515 171.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.85 -9.7 58.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.143 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.471 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 61.9 m80 -73.56 -19.18 60.96 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.95 114.95 6.93 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.411 169.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -112.43 48.93 0.95 Allowed 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.522 0.677 . . . . 0.0 110.215 -175.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.6 p -67.39 138.24 94.01 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.439 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.99 129.17 32.93 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.642 2.228 . . . . 0.0 112.62 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -64.74 131.43 46.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.253 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -108.05 134.88 50.31 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -78.15 -45.04 24.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.426 -171.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.4 p -110.1 139.8 44.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.39 . . . . 0.0 111.491 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.28 -24.2 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.596 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -56.2 -60.76 3.04 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.461 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -70.2 -34.29 72.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.908 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.592 ' O ' HG22 ' A' ' 113' ' ' THR . 38.4 tp -65.22 -57.52 8.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.821 0.343 . . . . 0.0 111.403 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.482 HD21 HG13 ' A' ' 48' ' ' VAL . 27.5 tp -66.08 -31.92 73.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.167 -174.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.17 -37.75 88.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.294 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 110' ' ' LEU . 4.9 t -78.86 -17.0 56.34 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.437 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 97.4 mt -83.97 -46.35 12.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 75.7 m -137.74 112.88 9.11 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.166 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.1 -9.7 20.47 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.721 2.281 . . . . 0.0 111.678 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.541 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -71.95 -5.48 35.09 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.577 175.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.443 ' CD1' HD23 ' A' ' 111' ' ' LEU . 91.1 t80 -61.21 -48.58 80.86 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.838 174.173 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.645 ' HA ' ' HB3' ' A' ' 122' ' ' PHE . 43.7 mtm180 -74.81 -10.25 59.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.849 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.536 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 43.2 mm-40 -67.29 -50.01 61.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 171.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.535 ' HB1' ' HD1' ' A' ' 46' ' ' PHE . . . -76.9 -35.48 57.36 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.5 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.645 ' HB3' ' HA ' ' A' ' 119' ' ' ARG . 56.8 t80 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.368 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.569 ' HB2' ' HG ' ' A' ' 35' ' ' LEU . 4.1 m-20 . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.7 tpp -62.92 -16.45 59.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.278 0.561 . . . . 0.0 109.662 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 34' ' ' ARG . 58.4 mtt180 -61.1 -34.15 74.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.634 174.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' HB2' ' A' ' 32' ' ' ASP . 7.7 mt -78.43 -46.81 18.9 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.18 -176.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.85 -26.02 68.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.264 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -74.89 -47.87 27.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.359 177.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -59.13 -38.55 79.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.481 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.08 92.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.629 178.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.521 HG13 HG11 ' A' ' 107' ' ' VAL . 53.4 t -64.96 -51.02 71.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.225 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.558 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 79.7 t -55.64 -43.54 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.632 -177.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -81.8 -3.83 54.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.08 -52.48 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.071 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.775 ' HA ' ' HZ ' ' A' ' 122' ' ' PHE . 35.0 m -93.94 8.81 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 65.1 tp -57.65 -30.62 65.55 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.036 0.446 . . . . 0.0 111.211 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -72.01 -9.56 58.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.589 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.53 -14.85 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.671 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 29.9 m -127.2 -171.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.499 0.19 . . . . 0.0 111.318 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -82.41 -58.22 3.02 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.208 0.528 . . . . 0.0 110.157 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -143.2 147.11 34.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.469 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.8 ttt -151.73 135.61 16.44 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -151.77 134.93 15.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.431 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 p -75.93 126.2 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.515 ' CB ' HD23 ' A' ' 57' ' ' LEU . 8.8 m -74.48 123.35 24.56 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.552 0.692 . . . . 0.0 111.846 -171.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -99.29 13.69 32.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.307 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.41 ' C ' HD22 ' A' ' 57' ' ' LEU . 2.8 p -114.17 22.51 13.75 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.416 0.627 . . . . 0.0 110.435 -174.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.598 ' HG ' ' HB2' ' A' ' 65' ' ' TYR . 4.3 mm? -122.77 -155.22 0.64 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.463 -175.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 58' ' ' ARG . 7.5 ptp85 -111.32 13.74 21.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.487 -176.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 3.2 m -53.78 131.98 40.54 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.786 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.25 -70.6 0.16 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.599 0.714 . . . . 0.0 111.455 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -110.14 -68.97 0.89 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.277 -165.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.49 ' O ' ' HA ' ' A' ' 81' ' ' THR . 13.4 t70 -116.78 -2.71 11.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.234 0.54 . . . . 0.0 110.735 -175.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 11.2 p -122.35 131.65 72.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.675 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.44 129.8 18.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.38 175.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.598 ' HB2' ' HG ' ' A' ' 57' ' ' LEU . 37.6 m-85 -93.35 121.61 34.91 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.0 mt -113.53 131.75 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.081 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.466 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 8.3 m120 -101.21 113.14 25.92 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.301 0.572 . . . . 0.0 110.005 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -121.75 140.95 44.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.425 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.671 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 30.5 tt0 -115.22 110.34 19.32 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.622 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 68.0 p -66.49 171.9 4.58 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.402 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 89.1 mttt -75.38 1.47 13.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.054 0.454 . . . . 0.0 110.979 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -96.8 6.02 49.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 67.34 22.05 9.62 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.279 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.05 124.01 34.41 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.38 117.24 29.98 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -112.53 132.06 55.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.94 0.4 . . . . 0.0 110.723 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.08 101.95 14.48 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 171.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.7 mt -94.63 134.96 36.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.191 0.519 . . . . 0.0 111.235 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 27.3 tt0 -94.35 104.09 16.08 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.54 177.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.2 tp -91.86 109.52 20.85 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.553 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 79.7 p -130.23 169.16 15.75 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.01 -28.91 68.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.957 0.408 . . . . 0.0 110.412 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.6 -24.19 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.323 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.63 -179.74 22.47 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.086 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.502 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 6.0 mp -109.99 130.69 55.5 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.547 ' HG2' ' HA ' ' A' ' 103' ' ' TYR . 23.4 mtmm -120.58 160.59 22.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.42 ' HB ' HG21 ' A' ' 101' ' ' THR . 50.3 t -89.59 113.14 25.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 19.3 m -115.55 23.14 5.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.667 0.27 . . . . 0.0 111.232 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . 172.15 150.72 7.4 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.051 -1.071 . . . . 0.0 112.762 176.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -112.02 28.57 8.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.975 0.417 . . . . 0.0 110.785 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -157.87 169.64 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.394 177.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.466 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 56.4 m-85 -69.19 135.02 50.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.024 178.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p30 46.39 24.6 0.31 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.183 0.993 . . . . 0.0 113.237 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.442 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 48.7 tt0 -111.31 116.95 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.167 176.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.62 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 66.1 t -98.97 108.66 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.154 0.502 . . . . 0.0 110.615 176.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -83.03 97.45 8.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -71.7 -13.82 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.42 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -81.23 -10.78 59.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.95 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.77 136.34 48.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.988 0.423 . . . . 0.0 111.132 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -124.86 18.77 8.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.532 -177.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.2 t -55.03 135.45 67.48 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.884 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 9.3 Cg_exo -70.5 158.2 56.68 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.948 2.432 . . . . 0.0 112.948 -177.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.547 ' HA ' ' HG2' ' A' ' 86' ' ' LYS . 17.3 m-85 -63.17 132.76 52.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.943 175.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -101.34 151.44 21.9 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.748 172.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.635 ' CD ' ' H ' ' A' ' 105' ' ' GLU . 1.4 mp0 -54.96 -66.96 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.531 -173.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.2 p -130.3 167.79 17.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.25 -175.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.521 HG11 HG13 ' A' ' 40' ' ' VAL . 14.7 p -72.06 -22.57 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.975 0.417 . . . . 0.0 109.928 176.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -69.54 -49.89 50.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.2 p -75.07 -26.87 59.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.975 0.417 . . . . 0.0 110.569 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.67 -50.72 41.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.746 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.1 -25.48 68.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.176 0.512 . . . . 0.0 109.861 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.68 -41.17 94.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.195 176.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.4 p -76.63 -15.12 59.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.215 -177.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.478 ' HB3' HG21 ' A' ' 70' ' ' THR . 46.7 mt -102.17 -19.03 15.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.201 -173.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.622 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 70.8 m -155.61 110.61 2.19 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.294 176.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 29.4 Cg_endo -63.97 -20.85 68.47 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.587 2.191 . . . . 0.0 111.848 178.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.1 -10.87 60.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.083 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -56.68 -33.27 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.888 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -75.88 -26.96 57.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.279 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -91.09 -0.04 57.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.626 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.81 -67.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.646 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.775 ' HZ ' ' HA ' ' A' ' 44' ' ' VAL . 75.5 m-85 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.494 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 4.3 m-20 . . . . . 0 C--O 1.237 0.42 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -35.21 76.15 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -167.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.7 ttt180 -73.26 -21.77 60.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.131 -175.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' A' ' 32' ' ' ASP . 22.7 mt -76.83 -45.07 29.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.191 0.52 . . . . 0.0 109.711 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 40' ' ' VAL . 61.4 mm-40 -68.38 -18.79 64.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.191 173.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -73.65 -45.35 53.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.127 177.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 56.1 mm-40 -55.31 -40.27 70.92 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.035 175.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.92 83.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.08 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 36' ' ' GLU . 90.6 t -59.48 -45.56 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.302 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.568 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 97.4 t -58.22 -35.85 55.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 111.318 -178.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -84.12 -27.81 27.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.056 0.455 . . . . 0.0 110.773 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.71 -50.76 12.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.216 -172.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 m -106.26 15.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 51.5 tp -56.47 -38.89 72.31 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -74.44 -3.58 31.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -174.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.55 -13.84 27.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.942 0.401 . . . . 0.0 110.76 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.604 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 33.5 m -128.43 -168.92 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -98.46 -37.0 9.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.33 -174.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -167.68 128.56 1.45 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.745 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.505 ' HG2' HG23 ' A' ' 68' ' ' VAL . 82.0 mtp -119.14 141.79 48.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.634 0.254 . . . . 0.0 110.406 177.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -155.84 120.22 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 -176.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.64 141.66 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.478 ' HB3' HD13 ' A' ' 57' ' ' LEU . 19.6 m -62.44 158.08 18.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.434 0.635 . . . . 0.0 112.519 -171.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -132.6 -6.47 3.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.464 -176.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.547 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 50.1 m -110.81 7.34 21.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.953 0.406 . . . . 0.0 111.308 -176.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 54' ' ' SER . 4.9 mp -122.22 -153.12 0.53 Allowed 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -123.0 143.41 49.95 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 120.925 0.393 . . . . 0.0 110.377 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.5 p -128.68 97.89 4.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.805 174.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.84 5.91 48.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.991 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 70.58 0.65 3.35 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.535 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -94.63 -17.35 22.38 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 162.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.1 p -144.69 139.52 23.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 113.94 -1.482 . . . . 0.0 109.195 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 80' ' ' LEU . . . -142.92 118.03 10.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.781 0.324 . . . . 0.0 110.511 176.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -86.82 123.15 31.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.378 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.41 HD11 ' HB1' ' A' ' 37' ' ' ALA . 60.9 mt -118.97 134.36 62.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -96.96 134.54 40.18 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.505 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.5 p -134.3 113.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.711 0.767 . . . . 0.0 111.058 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.1 tt0 -95.55 109.65 21.84 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 173.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.604 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 43.1 p -73.48 176.06 6.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.54 -177.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.447 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 85.3 mttt -75.5 0.15 18.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 110.54 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -88.88 0.99 56.08 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 171.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 66.79 19.78 10.68 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.376 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -96.42 133.37 40.92 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -96.1 111.07 23.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -108.83 126.1 52.68 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.824 0.345 . . . . 0.0 110.118 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.46 ' O ' HG22 ' A' ' 88' ' ' VAL . 12.9 t -96.34 131.7 42.6 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 80.0 mt -121.71 137.64 54.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.216 0.531 . . . . 0.0 111.376 -174.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 81' ' ' THR . 43.9 tt0 -93.76 101.57 13.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 64' ' ' ALA . 60.9 tp -81.66 115.69 21.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.735 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.49 HG23 ' HG2' ' A' ' 79' ' ' GLU . 74.3 p -127.32 178.36 6.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.356 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -74.8 -9.97 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.36 0.6 . . . . 0.0 109.455 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.41 -13.37 30.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.892 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.96 -165.9 24.76 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.732 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 mp -109.07 118.77 37.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.687 0.279 . . . . 0.0 110.273 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.589 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 52.3 tttp -113.33 142.1 46.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 -177.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.575 ' HB ' ' HB ' ' A' ' 101' ' ' THR . 44.0 t -74.83 125.77 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.682 ' HB ' ' CB ' ' A' ' 95' ' ' VAL . 21.7 m -105.98 -25.81 3.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.39 169.73 42.6 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.501 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -102.04 21.45 14.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.756 0.312 . . . . 0.0 110.462 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.8 165.14 27.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.041 0.448 . . . . 0.0 110.927 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.17 124.31 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.147 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 56' ' ' SER . 24.0 m-20 64.29 34.49 10.64 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.579 0.549 . . . . 0.0 110.915 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -122.72 127.04 48.71 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -175.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.682 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 2.6 p -136.46 137.88 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.92 170.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -101.91 136.68 41.33 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.78 -32.46 73.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.814 -173.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -107.05 17.96 22.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.871 0.367 . . . . 0.0 111.515 -175.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 mt -79.59 106.07 11.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 0.0 110.218 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -92.43 28.38 1.98 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.523 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.575 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -54.54 134.74 63.23 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.209 176.398 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 35.3 Cg_exo -60.39 166.63 9.14 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 123.223 2.615 . . . . 0.0 113.332 -175.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.589 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -133.85 151.16 51.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.246 178.687 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -117.82 174.52 6.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.027 0.441 . . . . 0.0 111.701 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.493 ' H ' ' CD ' ' A' ' 105' ' ' GLU . 26.9 mp0 -66.7 -64.08 0.93 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.807 -176.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 64.6 p -123.14 176.26 6.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.069 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 p -68.53 -25.99 32.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.034 0.445 . . . . 0.0 109.874 176.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -66.88 -56.76 8.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.709 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.3 p -71.68 -6.66 42.74 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.934 0.397 . . . . 0.0 111.375 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.7 tp -96.23 -55.42 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.955 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.477 HD23 ' CD1' ' A' ' 118' ' ' TYR . 15.5 tp -63.05 -25.31 68.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.351 0.596 . . . . 0.0 109.821 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -63.13 -31.22 72.31 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.968 177.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 43.1 p -91.38 -2.52 57.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.898 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 76.3 mt -115.62 -60.24 1.9 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.107 -171.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 67.0 m -99.41 119.04 61.27 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -170.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -60.53 -31.59 92.56 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.815 2.344 . . . . 0.0 111.307 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -65.06 -31.57 72.85 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.477 ' CD1' HD23 ' A' ' 111' ' ' LEU . 81.5 t80 -61.0 -38.17 85.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.571 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 119' ' ' ARG . 8.5 mmm180 -59.42 -46.96 87.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.469 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -69.91 -42.8 72.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.82 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.16 90.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.232 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 73.0 t80 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.167 178.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.523 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 66.7 t0 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.423 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 33.0 tpp -61.68 -22.74 65.58 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.573 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 ttp85 -63.94 -28.2 69.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.28 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.523 ' HG ' ' HB3' ' A' ' 32' ' ' ASP . 12.7 mt -71.4 -48.9 46.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.19 0.519 . . . . 0.0 109.933 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 40' ' ' VAL . 40.1 mt-10 -65.87 -26.76 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.318 174.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -67.45 -53.01 32.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.674 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -58.55 -35.87 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.412 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.3 -48.62 79.05 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.661 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.5 ' O ' HG22 ' A' ' 44' ' ' VAL . 78.6 t -62.9 -49.76 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.027 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.579 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 69.0 t -53.81 -47.88 62.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.423 -178.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.83 -35.3 72.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.378 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.58 -50.16 22.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.333 -0.394 . . . . 0.0 112.032 -172.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.7 m -95.6 11.98 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.664 -174.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 46.9 tp -59.02 -29.38 67.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.515 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -75.55 -10.45 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 111.098 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.37 4.88 41.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.115 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.1 m -140.39 179.98 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -90.35 -39.77 12.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.013 0.435 . . . . 0.0 110.302 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.434 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 56.2 t30 -153.17 154.28 34.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.579 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 16.1 ttt -162.74 127.37 3.11 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -157.84 136.93 11.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.284 -176.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.493 HG12 HG12 ' A' ' 66' ' ' ILE . 17.8 m -60.47 136.24 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.438 ' CB ' HD12 ' A' ' 57' ' ' LEU . 16.1 m -52.32 -49.05 64.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -170.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.6 tttt 68.26 6.44 5.3 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.818 0.818 . . . . 0.0 109.869 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.4 m -127.6 23.62 6.27 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 65' ' ' TYR . 14.9 mt -151.58 123.0 7.83 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 113.438 -1.71 . . . . 0.0 108.906 -171.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.63 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -63.42 112.54 2.79 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.495 -170.541 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 4.1 p -104.14 95.03 5.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.466 170.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.51 -76.34 0.17 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.924 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -140.37 -64.09 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.596 -176.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.31 19.5 19.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.967 0.413 . . . . 0.0 111.238 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.9 p -141.27 129.21 22.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.096 176.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.28 125.24 14.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.578 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.548 ' HB3' HD13 ' A' ' 57' ' ' LEU . 97.3 m-85 -95.15 126.1 40.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.713 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.493 HG12 HG12 ' A' ' 53' ' ' VAL . 50.7 mt -124.96 144.3 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.72 -176.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -106.24 124.46 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 11.3 p -121.49 147.21 25.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 -176.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.524 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 43.7 tt0 -134.44 104.51 6.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.454 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 72.6 p -65.77 175.18 2.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.645 -175.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 117' ' ' ALA . 50.2 mtpt -67.79 -19.82 65.13 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.986 0.422 . . . . 0.0 110.608 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -80.47 2.87 23.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.985 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 69.79 21.08 6.57 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.587 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -89.47 130.21 35.85 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.623 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 91.1 mtm180 -100.96 132.91 46.14 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.044 0.449 . . . . 0.0 110.795 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 72.6 m-85 -129.25 152.15 49.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.239 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.9 t -111.54 122.24 47.3 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.466 HD13 HD23 ' A' ' 85' ' ' LEU . 88.2 mt -111.06 127.72 55.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.285 0.564 . . . . 0.0 111.688 -173.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -95.31 95.0 8.19 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.736 173.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.572 HD13 ' HG ' ' A' ' 85' ' ' LEU . 50.7 tp -82.47 115.16 21.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.716 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.9 p -135.16 -166.97 1.92 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.864 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.51 -19.69 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.977 0.418 . . . . 0.0 110.553 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.4 3.18 55.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.775 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.43 -143.25 16.42 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.327 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.572 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.5 mp -101.86 116.17 32.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.046 0.451 . . . . 0.0 110.271 -177.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.49 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 34.2 tttt -116.09 136.47 52.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.73 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.56 ' HB ' HG21 ' A' ' 101' ' ' THR . 59.9 t -85.97 110.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.806 0.336 . . . . 0.0 110.248 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.568 HG21 HG22 ' A' ' 95' ' ' VAL . 3.6 m -91.63 -5.1 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.514 ' HA2' HD22 ' A' ' 99' ' ' LEU . . . 169.47 164.64 25.52 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.47 178.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 8.3 p90 -118.57 75.82 1.05 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.967 0.889 . . . . 0.0 110.298 176.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.88 -179.32 3.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.884 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -88.5 107.38 18.85 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 64.55 78.74 0.27 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.445 -174.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -146.57 108.59 4.39 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.568 HG22 HG21 ' A' ' 88' ' ' VAL . 77.9 t -124.31 121.35 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.972 0.415 . . . . 0.0 112.041 -173.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 6.5 t70 -146.66 142.79 28.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.957 170.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -89.82 -1.14 57.92 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.404 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -99.02 0.57 44.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' HA2' ' A' ' 89' ' ' GLY . 8.5 mp -74.98 121.84 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.474 -0.49 . . . . 0.0 109.775 171.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -85.56 75.09 10.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.163 0.506 . . . . 0.0 111.171 -174.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.56 HG21 ' HB ' ' A' ' 87' ' ' VAL . 40.9 p -111.08 134.18 21.11 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.967 176.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.83 125.37 15.25 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.674 2.249 . . . . 0.0 112.686 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.49 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 85.2 m-85 -61.72 122.88 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.745 174.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -109.55 140.65 43.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.955 0.407 . . . . 0.0 110.284 175.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -76.64 -27.96 55.87 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.76 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 46.0 p -131.46 150.07 52.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.758 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.26 -22.5 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.424 178.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.477 ' HA ' ' OH ' ' A' ' 118' ' ' TYR . 25.8 m-85 -56.7 -63.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 -178.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.487 ' O ' HG23 ' A' ' 113' ' ' THR . 7.6 m -70.11 -19.66 63.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.428 -176.015 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 85' ' ' LEU . 28.5 tp -80.57 -54.79 5.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.517 HD23 ' CD1' ' A' ' 118' ' ' TYR . 14.6 tp -63.87 -25.06 67.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.087 0.47 . . . . 0.0 109.874 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.96 -35.5 80.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.318 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 109' ' ' SER . 58.1 p -74.18 -8.25 55.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.217 0.532 . . . . 0.0 110.877 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.2 mt -112.28 -44.23 3.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.874 -175.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.454 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 56.2 m -119.01 122.74 29.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.636 -178.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.35 -18.33 26.5 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.482 2.121 . . . . 0.0 110.942 172.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.444 ' CB ' ' HD3' ' A' ' 71' ' ' LYS . . . -73.19 -10.14 59.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.061 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.517 ' CD1' HD23 ' A' ' 111' ' ' LEU . 74.8 t80 -64.4 -51.28 64.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.283 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -72.74 -19.85 61.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.128 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.44 ' CD ' ' HA ' ' A' ' 117' ' ' ALA . 89.5 mt-10 -68.17 -54.87 14.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.1 90.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.887 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 89.9 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.977 176.004 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.729 0.3 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -133.41 -176.82 4.27 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.188 -175.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 t -143.74 -177.52 5.45 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 174.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.7 121.28 29.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.098 0.475 . . . . 0.0 110.393 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.597 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 11.2 p -82.47 -166.1 1.2 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.671 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -106.62 92.64 7.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.185 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.597 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 92.7 Cg_endo -97.53 -158.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 123.465 2.777 . . . . 0.0 111.859 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.5 148.04 43.73 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.73 125.16 46.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.551 0.691 . . . . 0.0 110.634 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.4 mt -90.18 13.51 14.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.997 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 m -130.62 178.91 6.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.098 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 p -61.93 -58.53 7.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.111 0.481 . . . . 0.0 110.349 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.8 ttt -154.39 153.45 31.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 m -72.4 92.25 1.42 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.83 0.347 . . . . 0.0 110.694 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -130.58 93.18 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -93.4 -37.71 11.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.059 0.457 . . . . 0.0 110.087 -177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -92.96 132.13 37.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.295 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -138.56 147.2 42.76 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.78 -55.5 0.32 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.123 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -67.02 151.58 47.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.518 0.199 . . . . 0.0 110.468 177.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG2' ' H ' ' A' ' 21' ' ' GLU . 5.7 pt-20 -84.6 141.22 30.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.074 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 tt -90.64 -40.69 11.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.108 -172.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -59.79 119.52 7.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.016 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -146.38 -114.05 0.83 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.575 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -87.01 -25.98 23.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.925 0.393 . . . . 0.0 111.189 -176.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -121.21 109.2 14.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.724 -177.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -107.73 72.0 0.21 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.841 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 30' ' ' MET . 48.2 m -80.47 123.77 28.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.95 0.405 . . . . 0.0 111.106 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.21 -26.51 68.83 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.365 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.512 ' H ' HG22 ' A' ' 28' ' ' THR . 48.1 ttp 72.42 16.38 4.98 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.918 0.761 . . . . 0.0 109.708 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.634 ' HE3' ' HG3' ' A' ' 36' ' ' GLU . 37.1 tttp -70.82 115.81 10.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.188 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 14.2 t0 -90.75 126.55 36.04 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 176.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.513 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 18.7 tpp -70.41 -32.6 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.758 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -66.86 -41.9 86.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.152 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 21.4 tp -50.68 -59.8 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.031 174.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.634 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 6.4 mm-40 -61.32 -33.86 74.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.441 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -64.24 -54.19 37.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.23 -177.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.46 -25.04 67.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.4 -44.64 67.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.531 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 36' ' ' GLU . 58.6 t -64.18 -47.85 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.114 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 37' ' ' ALA . 79.1 t -54.36 -43.96 64.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.596 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -66.56 -38.85 87.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.419 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -75.62 -35.93 60.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.405 -170.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -105.53 8.67 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.42 -29.24 68.86 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -70.1 -22.55 63.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -172.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.13 8.44 42.99 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -171.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.522 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 34.8 m -140.35 -177.06 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -80.22 -55.58 4.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.158 0.504 . . . . 0.0 110.154 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -153.43 136.62 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.138 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.7 ttt -138.12 135.42 35.73 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -160.99 157.67 26.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.721 0.296 . . . . 0.0 110.466 -175.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.19 137.38 23.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.075 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.3 m -68.82 115.54 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.218 0.532 . . . . 0.0 110.587 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 75.3 tttt -96.6 3.68 52.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.497 -176.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -104.61 12.56 32.88 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.347 -173.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -135.12 -93.82 0.28 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.696 -176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -176.76 159.43 1.79 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.408 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.5 p -164.88 112.89 1.04 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -143.6 89.65 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.058 -174.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 33' ' ' MET . 32.1 m-20 68.13 -71.28 0.11 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.061 168.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -80.27 -28.55 38.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.081 0.467 . . . . 0.0 111.204 -175.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -135.18 138.28 48.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.082 0.467 . . . . 0.0 111.365 -173.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.34 133.02 20.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.998 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -94.69 128.97 41.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.066 0.46 . . . . 0.0 110.739 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.0 mt -119.44 155.86 21.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.445 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -128.51 139.14 52.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.065 0.46 . . . . 0.0 110.056 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.78 131.97 66.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.932 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.522 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 45.7 tt0 -120.94 108.96 14.51 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.166 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.491 HG21 ' HB2' ' A' ' 115' ' ' SER . 68.8 p -72.22 -179.23 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.836 -173.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HD3' ' HB1' ' A' ' 117' ' ' ALA . 7.2 mtpm? -67.87 -25.53 65.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.112 -175.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -94.42 18.06 11.88 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.941 0.401 . . . . 0.0 110.642 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.88 7.36 5.45 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.409 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -72.13 132.74 44.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HD3' ' HB2' ' A' ' 92' ' ' PHE . 99.3 mtt180 -113.92 136.22 53.13 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.099 0.476 . . . . 0.0 111.222 -174.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -129.72 132.7 46.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.31 175.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.0 t -103.39 129.75 50.55 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 67.6 mt -118.45 128.69 54.84 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.129 0.49 . . . . 0.0 111.45 -171.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -93.65 98.35 11.08 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.513 ' HG ' ' SD ' ' A' ' 33' ' ' MET . 40.1 tp -81.23 121.95 26.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.91 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -142.84 -174.92 4.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.935 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -13.75 62.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.842 0.354 . . . . 0.0 110.962 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.28 -3.28 58.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.513 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.71 -147.0 16.61 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.834 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.2 mp -104.04 114.48 28.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 0.0 110.082 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.752 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 55.3 tttt -112.71 113.14 25.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.541 -176.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.646 HG13 ' HB ' ' A' ' 101' ' ' THR . 4.0 p -66.27 123.55 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.021 0.439 . . . . 0.0 109.952 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.508 ' HB ' HG13 ' A' ' 95' ' ' VAL . 6.2 m -119.32 4.63 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.435 -177.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.576 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -177.19 160.01 26.67 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.505 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -121.16 29.48 7.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.436 0.636 . . . . 0.0 110.138 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 94' ' ' GLN . . . -147.27 167.08 25.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.449 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.536 ' HB2' ' HD3' ' A' ' 75' ' ' ARG . 35.2 t80 -69.24 116.67 9.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.728 0.299 . . . . 0.0 110.903 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 65.14 30.97 11.26 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.903 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.576 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 6.2 tp60 -99.26 112.37 24.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.223 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.508 HG13 ' HB ' ' A' ' 88' ' ' VAL . 95.6 t -131.96 116.01 28.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.152 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.628 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 25.8 t70 -106.93 137.13 45.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.329 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.76 -10.15 59.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.29 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -104.1 1.57 31.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.628 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 19.6 mt -76.24 112.95 13.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.377 0.608 . . . . 0.0 110.981 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.14 30.46 1.9 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.273 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.646 ' HB ' HG13 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -66.02 132.88 94.69 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.619 -178.639 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.04 136.94 54.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.221 2.614 . . . . 0.0 113.936 -173.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.752 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 1.2 p90 -92.04 144.24 25.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.566 175.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -106.31 168.97 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.612 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.514 ' HG3' HG23 ' A' ' 106' ' ' THR . 16.8 tp10 -69.44 -64.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.903 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.514 HG23 ' HG3' ' A' ' 105' ' ' GLU . 81.4 p -118.26 176.63 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 -177.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.1 p -71.51 -26.84 27.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.348 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -65.15 -58.82 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.61 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.2 m -69.62 -4.19 18.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.667 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 54.9 tp -96.62 -60.76 1.54 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 0.0 110.812 177.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 114' ' ' LEU . 18.0 tp -69.0 -20.28 64.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.121 -173.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.15 -25.67 65.39 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 122.249 1.024 . . . . 0.0 108.981 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.89 -19.61 18.72 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.543 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 89.7 mt -84.49 -29.93 25.61 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.271 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.491 ' HB2' HG21 ' A' ' 70' ' ' THR . 38.6 t -145.19 116.4 5.13 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.391 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.14 -25.63 72.87 Favored 'Trans proline' 0 CA--C 1.527 0.13 0 C-N-CA 122.523 2.149 . . . . 0.0 111.309 175.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.44 ' HB1' ' HD3' ' A' ' 71' ' ' LYS . . . -66.44 -33.06 74.87 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.574 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -60.97 -38.82 87.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.072 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -67.69 -41.69 83.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.33 -37.55 83.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.338 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.42 -39.12 93.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.541 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -61.46 -41.77 97.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.996 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.61 -37.79 93.97 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.581 177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.84 -46.92 85.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.003 0.43 . . . . 0.0 110.588 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.76 -25.68 64.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.374 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.9 tp -75.05 -46.98 31.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.711 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 pp -67.33 -19.27 65.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.078 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -62.15 -35.9 80.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.914 0.388 . . . . 0.0 110.526 174.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -35.03 72.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.022 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.36 -54.34 45.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.683 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.99 -24.69 62.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.251 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.49 97.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.583 175.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.82 -22.22 37.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -72.52 -44.85 61.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.921 0.391 . . . . 0.0 110.193 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 135' ' ' ARG . 15.8 tpt180 -75.76 -53.64 8.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.943 0.401 . . . . 0.0 110.11 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -103.35 115.3 30.28 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 148.23 -52.8 0.54 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.485 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 138' ' ' GLN . 0.0 OUTLIER -99.0 2.97 46.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.409 0.623 . . . . 0.0 110.238 175.21 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.25 1.129 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.073 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.69 -15.93 59.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.406 0.622 . . . . 0.0 109.59 173.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.4 m -64.29 -41.03 97.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.105 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -99.61 79.39 2.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.848 0.832 . . . . 0.0 110.656 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.4 p -96.86 175.21 6.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.937 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -58.85 128.72 84.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.135 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -91.48 -158.15 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 123.212 2.608 . . . . 0.0 112.828 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.401 ' HB3' ' H ' ' A' ' 9' ' ' GLU . 95.8 mmm -96.66 -149.88 0.33 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.288 176.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.401 ' H ' ' HB3' ' A' ' 8' ' ' MET . 41.5 mt-10 -55.0 -41.35 71.16 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.13 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.9 tp 75.62 -47.38 0.59 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 171.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.448 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 12.8 t -59.12 -36.08 74.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.487 0.18 . . . . 0.0 111.487 -175.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 m 67.31 -176.0 0.2 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 123.535 0.522 . . . . 0.0 111.723 175.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -69.19 119.59 13.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.027 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.6 m 61.69 28.29 17.45 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.65 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 11' ' ' SER . . . -78.73 65.62 3.45 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.325 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -83.24 -62.94 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.084 0.469 . . . . 0.0 110.878 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -112.49 101.91 10.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.715 -174.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.12 17.85 7.21 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.355 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.72 -110.61 3.87 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.7 m -141.36 93.32 2.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.029 0.442 . . . . 0.0 110.182 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -97.45 13.18 30.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.505 -175.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.5 tp -138.06 119.49 14.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -117.82 145.97 44.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.606 -177.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.71 56.73 0.68 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.108 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -114.35 21.24 14.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.102 0.477 . . . . 0.0 110.806 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -88.19 115.82 25.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.753 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.94 74.63 0.83 Allowed Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.136 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -75.8 -20.36 58.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.455 0.645 . . . . 0.0 109.909 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -73.7 98.29 2.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.829 0.823 . . . . 0.0 110.112 176.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.0 ptp -131.33 22.05 4.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.24 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.505 ' HE3' ' HG3' ' A' ' 36' ' ' GLU . 65.7 tttp -162.41 112.21 1.47 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -175.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.599 ' HB2' ' CB ' ' A' ' 35' ' ' LEU . 2.8 m-20 -62.55 116.05 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.702 -175.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.8 tpp -65.7 -32.13 73.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.243 0.544 . . . . 0.0 110.155 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.52 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -72.38 -32.49 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.93 178.398 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.599 ' CB ' ' HB2' ' A' ' 32' ' ' ASP . 17.7 tp -57.08 -57.06 14.21 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.639 176.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.505 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 9.1 mm-40 -63.27 -34.16 77.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.474 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -61.45 -51.69 67.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.465 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.71 -40.47 92.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.226 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.26 74.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.279 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.77 -41.56 85.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.739 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 42.0 t -53.88 -37.49 33.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.309 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -29.37 37.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.844 0.354 . . . . 0.0 111.521 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -80.34 -48.8 12.42 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -172.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -100.44 5.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.739 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 7.3 tt -62.08 -27.71 69.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 110.251 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.58 -19.79 65.12 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.307 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 118' ' ' TYR . . . -88.01 -22.89 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.197 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.528 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 26.9 m -122.45 -168.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.69 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -93.89 -48.93 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.119 0.485 . . . . 0.0 110.979 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -144.77 145.05 31.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.342 -173.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.524 ' HG2' HG23 ' A' ' 68' ' ' VAL . 73.1 mtp -142.7 116.45 9.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -145.17 134.25 22.67 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.854 HG12 HG12 ' A' ' 66' ' ' ILE . 19.5 m -73.51 153.5 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.84 0.352 . . . . 0.0 111.059 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.451 ' HB3' ' OD1' ' A' ' 93' ' ' ASP . 15.1 m -72.29 167.49 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.268 -175.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.488 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 14.1 tmtt? -130.77 -23.1 2.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -177.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.0 m -91.09 16.1 10.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.413 0.625 . . . . 0.0 110.428 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mp -127.84 -102.7 0.33 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.104 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -174.91 150.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 110.356 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 p -141.51 78.79 1.65 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.572 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.1 22.52 5.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.227 -172.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' A' ' 34' ' ' ARG . 38.6 m-20 74.62 -4.96 2.22 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.429 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -96.85 -26.92 14.92 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 169.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.6 p -142.68 147.19 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.199 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.13 125.4 11.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.685 0.279 . . . . 0.0 110.897 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -99.06 123.18 43.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.381 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.854 HG12 HG12 ' A' ' 53' ' ' VAL . 40.3 mt -115.05 133.63 60.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.56 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.442 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 13.4 m120 -103.08 116.56 32.74 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.524 HG23 ' HG2' ' A' ' 51' ' ' MET . 7.7 p -114.25 128.96 71.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.54 -175.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.6 tt0 -109.14 114.07 27.46 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.853 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.0 p -65.03 173.19 2.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.131 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 97.4 mttt -80.13 -1.14 38.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.312 0.577 . . . . 0.0 111.054 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -96.03 7.42 46.44 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 ttt-85 63.69 15.7 9.16 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.748 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -83.24 112.06 19.52 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.457 ' HD3' ' CE2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -97.08 140.43 31.61 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.899 -174.104 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 82.8 m-85 -131.43 161.11 33.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.747 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.0 m -109.62 121.96 46.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.164 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.429 HD22 HD21 ' A' ' 110' ' ' LEU . 71.9 mt -110.13 126.86 54.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.814 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -94.77 106.35 18.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.084 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.414 HD13 ' HG ' ' A' ' 85' ' ' LEU . 62.8 tp -90.98 121.81 33.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.662 -177.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -137.81 -173.41 3.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.19 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.87 -8.78 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.097 0.475 . . . . 0.0 110.454 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.53 -17.68 35.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.149 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.46 -160.29 23.04 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.209 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.414 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.8 mp -101.76 115.92 31.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.879 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 26.4 tttm -113.39 115.91 28.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.818 -176.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.66 131.09 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.205 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.484 ' HB ' HG13 ' A' ' 95' ' ' VAL . 16.3 m -124.52 -5.86 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.59 175.81 47.2 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 119.663 -1.256 . . . . 0.0 113.194 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -131.06 66.88 1.53 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.3 0.572 . . . . 0.0 110.614 -179.504 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' HA ' ' HG3' ' A' ' 75' ' ' ARG . . . -174.91 -155.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.233 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.457 ' CE2' ' HD3' ' A' ' 75' ' ' ARG . 48.5 m-85 -108.63 128.05 54.5 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' A' ' 54' ' ' SER . 10.9 m-20 59.71 28.55 18.02 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.618 0.574 . . . . 0.0 111.392 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 6.3 tp-100 -104.75 103.85 13.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 -176.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.484 HG13 ' HB ' ' A' ' 88' ' ' VAL . 94.9 t -117.4 117.49 55.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.469 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.509 ' HB3' HD13 ' A' ' 99' ' ' LEU . 47.9 t0 -125.0 137.64 54.24 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.533 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -85.75 0.4 52.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.946 0.403 . . . . 0.0 110.347 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.409 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 34.3 m-70 -82.84 -11.95 57.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.338 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 96' ' ' ASP . 7.9 mp -92.28 112.41 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.007 0.432 . . . . 0.0 110.765 176.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -100.18 28.44 4.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.313 176.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.31 118.1 36.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.387 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.85 145.27 90.29 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.896 2.398 . . . . 0.0 112.588 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.879 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 10.0 p90 -80.8 148.23 30.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.872 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -107.92 143.9 35.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -72.78 -2.27 19.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.002 0.43 . . . . 0.0 111.6 -172.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 109' ' ' SER . 0.0 OUTLIER -155.01 147.54 24.17 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.349 -176.71 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.84 -24.43 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.708 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -71.58 -45.75 61.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.009 0.433 . . . . 0.0 110.361 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.488 ' HB3' HG23 ' A' ' 106' ' ' THR . 26.3 t -67.1 -22.88 65.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.963 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.514 ' O ' HG22 ' A' ' 113' ' ' THR . 58.3 tp -86.96 -54.08 4.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.352 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.68 -21.81 66.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.9 0.381 . . . . 0.0 110.723 -175.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.65 -39.5 80.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.885 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 110' ' ' LEU . 11.3 t -91.84 -10.78 38.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 -176.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.2 mt -92.91 -24.54 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.539 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.431 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 50.2 m -148.58 123.57 4.99 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.756 0.312 . . . . 0.0 111.779 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 21.8 Cg_endo -64.13 -25.39 65.62 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.151 1.9 . . . . 0.0 110.626 170.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.569 ' HA ' ' HB2' ' A' ' 120' ' ' GLU . . . -65.9 -22.13 66.49 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.802 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.47 ' HA ' ' HB1' ' A' ' 47' ' ' ALA . 68.3 t80 -64.15 -40.65 96.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.427 0.632 . . . . 0.0 109.466 174.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -80.33 -30.5 38.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.738 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 117' ' ' ALA . 1.2 mp0 -60.71 -51.9 67.38 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.992 169.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.41 97.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.179 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -62.08 -47.15 85.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.291 . . . . 0.0 110.387 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -64.71 -36.5 93.2 Favored Glycine 0 CA--C 1.508 -0.406 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.143 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -71.43 -35.38 70.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.489 0.185 . . . . 0.0 111.005 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.98 -45.23 71.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.694 0.283 . . . . 0.0 111.012 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.81 -38.88 92.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.427 HD13 ' C ' ' A' ' 127' ' ' LEU . 2.3 tm? -58.53 -51.02 71.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.167 174.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -60.9 -40.97 95.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.595 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 58.7 ttt-85 -63.2 -40.4 97.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.691 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 67.7 mt -60.46 -46.35 90.4 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.201 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.64 -45.85 90.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.113 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.18 -49.75 73.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.701 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 75.6 mt -75.22 -34.09 61.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.279 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -72.88 -33.15 65.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.075 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -89.63 -5.38 57.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -117.79 132.96 56.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.687 0.28 . . . . 0.0 111.113 -177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 130.48 -175.79 19.15 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.935 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -144.94 -178.14 5.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.5 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.28 178.605 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -102.24 -52.73 3.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.204 0.526 . . . . 0.0 109.932 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.4 p -104.75 130.61 52.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.231 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.423 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 31.3 t70 -113.54 -97.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 176.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 4' ' ' ASP . 54.1 m -167.29 -56.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.077 0.551 . . . . 0.0 109.811 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -127.22 113.3 21.54 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.437 -175.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.28 154.9 21.95 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 123.364 2.709 . . . . 0.0 111.956 175.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.8 ttp -108.05 -7.39 16.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.4 0.619 . . . . 0.0 110.391 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -64.24 -25.4 68.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.565 -175.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.3 tp -107.89 99.56 9.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.737 176.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.4 t -121.5 157.34 30.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.058 -178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 t -77.77 124.56 28.13 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.9 ttt -88.7 126.45 35.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.0 t -155.0 150.21 27.1 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.95 177.43 21.4 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.105 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -78.16 93.49 4.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.306 0.574 . . . . 0.0 110.861 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -123.08 -80.79 0.63 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.376 -0.829 . . . . 0.0 108.767 174.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -88.43 -12.87 41.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.852 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.69 88.93 0.14 Allowed Glycine 0 C--N 1.33 0.236 0 CA-C-N 115.474 -0.785 . . . . 0.0 113.351 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.8 t -145.03 145.27 31.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 176.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 69.77 118.67 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.69 0.619 . . . . 0.0 111.12 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt 61.8 86.31 0.11 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.968 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -76.63 115.22 16.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.263 172.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.69 172.25 44.55 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.226 -0.988 . . . . 0.0 112.659 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -112.15 175.76 5.3 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -80.01 80.18 6.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.86 57.84 4.93 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.206 -177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 t -121.4 99.33 6.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.712 0.768 . . . . 0.0 109.742 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.31 -31.43 60.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.128 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.7 ttp -135.81 134.35 38.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.635 173.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HD3' ' CG ' ' A' ' 36' ' ' GLU . 37.0 ttmt -72.43 141.08 48.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.721 0.296 . . . . 0.0 110.777 -177.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.588 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 66.0 t0 -84.47 112.01 20.0 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.514 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 22.9 ttm -77.14 -18.83 57.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.15 0.5 . . . . 0.0 109.881 -177.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.56 ' HB3' ' OD1' ' A' ' 32' ' ' ASP . 22.3 ttp180 -66.64 -29.92 70.07 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 172.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.588 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 5.5 tp -67.29 -50.5 60.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.774 173.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' CG ' ' HD3' ' A' ' 31' ' ' LYS . 6.2 mm-40 -57.69 -30.72 65.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.845 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -64.93 -54.65 27.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.263 -175.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.93 -26.71 68.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.796 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.67 -46.11 63.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.505 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 44' ' ' VAL . 55.5 t -63.94 -45.07 97.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.582 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 54.8 t -52.25 -41.3 33.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.515 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -76.78 -29.59 56.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -78.68 -53.46 7.13 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 40' ' ' VAL . 33.4 m -84.22 4.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.874 0.369 . . . . 0.0 111.306 -174.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 39.0 tp -60.46 -23.29 64.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.892 178.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -70.99 -24.71 62.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.992 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 118' ' ' TYR . . . -85.68 -21.49 28.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 111.214 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.643 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 31.2 m -119.3 -168.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.56 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 10.4 t30 -100.95 -37.36 8.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 110.689 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.537 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 9.3 t30 -149.9 153.3 36.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.859 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.582 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 14.6 ttt -162.45 139.04 7.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -160.96 139.89 10.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.481 0.181 . . . . 0.0 110.539 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.631 HG12 HG12 ' A' ' 66' ' ' ILE . 15.4 m -77.53 122.48 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.583 ' HB2' HD12 ' A' ' 57' ' ' LEU . 54.7 m -70.72 128.31 35.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.04 0.448 . . . . 0.0 111.865 -171.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.74 -7.48 59.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.788 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 m -94.54 4.79 53.41 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.536 0.684 . . . . 0.0 109.575 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' A' ' 65' ' ' TYR . 68.0 mt -122.75 -163.56 1.11 Allowed 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.164 -175.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.464 ' HB3' ' CD2' ' A' ' 65' ' ' TYR . 16.0 tpt180 -110.3 138.77 46.24 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.876 -171.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 4.6 p -157.75 84.21 0.89 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.31 0.576 . . . . 0.0 110.164 174.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.24 -64.47 1.16 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.541 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.85 -56.54 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.554 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -89.45 2.8 54.02 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.059 0.457 . . . . 0.0 110.943 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.6 p -141.6 129.4 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.558 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.23 119.06 13.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.256 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.728 ' HB3' HD13 ' A' ' 57' ' ' LEU . 47.6 m-85 -86.46 113.81 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.125 0.488 . . . . 0.0 110.829 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.631 HG12 HG12 ' A' ' 53' ' ' VAL . 41.7 mt -117.74 145.35 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.455 -175.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' OD1' ' HA ' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -113.05 133.87 54.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.025 0.44 . . . . 0.0 110.389 174.588 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 p -126.69 141.01 47.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.141 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.643 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.2 tt0 -129.08 110.81 12.35 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.417 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.468 HG21 ' HB2' ' A' ' 115' ' ' SER . 53.1 p -66.34 178.19 1.28 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.164 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HA ' ' HB2' ' A' ' 49' ' ' ASN . 97.1 mttt -69.89 -21.74 63.29 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.164 0.507 . . . . 0.0 110.074 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -75.87 -2.59 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.774 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 60.38 33.8 20.71 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.397 -173.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -92.03 117.83 30.2 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -96.59 130.3 43.81 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.945 0.402 . . . . 0.0 111.557 -169.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -120.36 144.92 47.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.824 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 38.7 t -110.43 123.62 50.22 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 175.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 67.5 mt -121.23 130.43 53.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.083 0.468 . . . . 0.0 111.757 -172.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.425 ' HG2' HG23 ' A' ' 81' ' ' THR . 35.4 tt0 -94.26 101.22 13.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.514 ' HG ' ' SD ' ' A' ' 33' ' ' MET . 64.1 tp -84.03 107.87 16.64 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.063 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.425 HG23 ' HG2' ' A' ' 79' ' ' GLU . 38.0 p -126.51 178.72 5.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.014 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -69.83 -15.23 63.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.159 0.504 . . . . 0.0 109.822 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.35 -5.22 59.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.81 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.3 -165.27 12.25 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.933 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.6 mp -98.79 125.59 44.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.899 0.38 . . . . 0.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -114.93 120.55 40.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.54 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -73.54 109.33 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.427 0.632 . . . . 0.0 110.603 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.459 HG21 HG22 ' A' ' 95' ' ' VAL . 6.3 m -100.77 12.03 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.533 -175.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.03 172.41 22.01 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.587 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -130.01 72.19 1.48 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.975 0.893 . . . . 0.0 110.572 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.53 160.37 10.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.327 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.454 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -72.96 116.57 13.63 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.07 0.462 . . . . 0.0 111.005 -175.812 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 69.63 29.39 4.24 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.082 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -103.87 123.68 47.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.947 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.459 HG22 HG21 ' A' ' 88' ' ' VAL . 56.7 t -132.29 108.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.825 0.345 . . . . 0.0 110.767 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.529 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 9.6 t70 -94.26 116.78 29.22 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -82.54 -3.74 56.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.009 -172.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -101.73 4.92 41.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.005 0.431 . . . . 0.0 110.84 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.529 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 73.5 mt -82.04 123.0 28.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.045 173.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -103.72 31.34 4.49 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.246 0.546 . . . . 0.0 109.937 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.488 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 5.3 p -50.23 133.51 24.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.635 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 26.9 Cg_exo -62.66 145.99 95.2 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.109 2.54 . . . . 0.0 112.724 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -81.95 151.13 27.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.423 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -121.89 139.25 53.88 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.85 -63.09 1.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.37 0.419 . . . . 0.0 111.485 -171.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.5 p -106.43 154.5 20.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.939 0.399 . . . . 0.0 111.611 -177.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.14 -30.62 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.922 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -69.04 -47.92 64.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.598 -176.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.9 m -63.93 -31.92 73.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.676 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.93 -52.22 15.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.3 tp -60.72 -28.32 68.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.206 0.527 . . . . 0.0 110.02 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.12 -37.48 87.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.307 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.9 p -83.67 -10.35 58.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.666 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.7 mt -114.36 -17.28 11.83 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -169.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.468 ' HB2' HG21 ' A' ' 70' ' ' THR . 33.4 t -146.66 129.66 8.04 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.085 0.469 . . . . 0.0 111.763 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.86 -18.86 27.81 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.702 2.268 . . . . 0.0 111.598 173.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -68.18 -29.8 68.75 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.491 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.443 ' HA ' ' HB1' ' A' ' 47' ' ' ALA . 68.7 t80 -61.32 -42.85 99.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.804 174.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -73.64 -26.46 60.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.733 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.75 -58.33 6.56 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.31 69.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.556 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -57.71 -47.57 82.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.499 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.36 -41.66 99.37 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.837 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 128' ' ' GLN . 36.8 m-80 -64.02 -38.7 92.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.493 178.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.481 ' O ' ' HD3' ' A' ' 129' ' ' ARG . . . -62.26 -44.06 97.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.82 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.0 mp -61.43 -49.17 77.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.428 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.44 -28.27 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.202 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 124' ' ' ASN . 5.4 tm0? -71.68 -39.59 70.16 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 125' ' ' ALA . 7.7 mpt_? -61.85 -38.84 89.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 176.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.65 -42.63 77.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.33 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 0.2 OUTLIER -59.73 -46.22 89.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.185 174.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.16 -30.74 71.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.1 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.16 -38.92 86.28 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -67.48 -30.34 70.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.772 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 131' ' ' GLU . 64.5 mtt180 -84.86 -21.94 29.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.147 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -69.15 111.2 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.228 -174.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 175.17 -153.42 15.46 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.04 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -106.68 129.84 54.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.489 -179.112 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 ttm . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.786 0.327 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -90.87 99.45 12.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 p -67.92 -41.32 82.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.408 0.623 . . . . 0.0 110.524 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -149.97 97.57 2.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.386 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.18 -32.11 68.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.938 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -155.36 105.9 2.22 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.217 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.89 -73.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.583 2.189 . . . . 0.0 111.651 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -166.26 150.64 7.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -93.22 135.64 34.24 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -65.71 -26.98 68.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.214 -173.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.3 m -119.0 99.61 6.84 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 175.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.0 m -121.98 -45.82 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.715 0.293 . . . . 0.0 111.118 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.2 tpp -170.92 152.44 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 m -58.52 102.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.35 0.406 . . . . 0.0 110.107 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.64 130.4 4.37 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.592 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -150.7 92.31 1.82 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -90.58 109.08 20.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.416 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -69.4 -33.26 72.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.951 177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.0 70.4 0.27 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.601 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.4 m -75.72 87.12 2.76 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -57.33 -67.4 0.33 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.173 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -139.94 -57.61 0.56 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -119.71 -44.93 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.89 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.47 10.08 80.41 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.383 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.729 ' HE2' ' HB2' ' A' ' 29' ' ' ASP . 1.5 t80 -87.29 82.71 7.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.137 0.494 . . . . 0.0 110.072 -178.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -99.31 102.98 14.76 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.337 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.01 -7.21 10.13 Favored Glycine 0 C--N 1.334 0.427 0 CA-C-N 115.887 -0.597 . . . . 0.0 113.64 174.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -63.01 -25.95 68.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.729 ' HB2' ' HE2' ' A' ' 25' ' ' PHE . 32.1 t70 -94.16 -8.13 40.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.712 0.291 . . . . 0.0 111.592 -176.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.8 mtt -73.7 113.96 11.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.335 0.588 . . . . 0.0 110.682 -175.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 46.3 mttp -108.02 173.65 6.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.347 -173.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.96 103.12 4.35 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 173.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.3 tpp -62.89 -19.98 64.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.618 0.723 . . . . 0.0 109.284 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -56.17 -32.82 64.67 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.15 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.73 -50.64 41.51 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.196 0.522 . . . . 0.0 109.994 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.61 -28.99 70.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.625 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -64.25 -50.77 66.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.454 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.75 -29.56 69.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.999 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.36 92.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.012 0.434 . . . . 0.0 109.921 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.439 HG13 HG21 ' A' ' 107' ' ' VAL . 73.1 t -62.34 -46.98 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.848 175.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 37' ' ' ALA . 58.3 t -52.3 -51.82 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.604 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -80.63 2.2 26.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.997 -174.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -100.92 -52.3 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.988 0.423 . . . . 0.0 110.485 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -89.16 2.48 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.733 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 66.6 tp -56.89 -35.88 69.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.221 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -79.63 -7.59 58.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.983 0.421 . . . . 0.0 111.166 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.56 -13.67 21.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.128 0.49 . . . . 0.0 110.834 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.1 m -122.71 -168.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.598 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' ND2' ' HA ' ' A' ' 71' ' ' LYS . 87.5 m-20 -98.02 -38.84 9.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.77 0.319 . . . . 0.0 111.079 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.549 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 50.1 t30 -145.37 148.44 33.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.519 ' HG2' HG23 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -164.9 118.62 1.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -175.034 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -162.7 162.93 27.1 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.781 0.324 . . . . 0.0 111.117 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.99 149.59 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.429 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.633 ' HA ' HD22 ' A' ' 67' ' ' ASN . 41.0 m -62.98 149.02 45.88 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.955 0.407 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -112.85 -13.09 13.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.394 -174.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.2 m -104.99 11.72 33.13 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.826 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mp -135.94 -157.2 0.77 Allowed 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.27 0.557 . . . . 0.0 110.131 -176.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -136.26 157.11 47.6 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.88 -174.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.1 p -112.27 91.17 3.56 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.81 80.96 5.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.588 -173.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.77 -83.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.06 0.85 . . . . 0.0 111.761 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.582 ' O ' ' HA ' ' A' ' 81' ' ' THR . 25.5 t70 -85.63 -22.45 27.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -171.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -105.3 126.97 60.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.282 0.563 . . . . 0.0 111.507 -176.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.26 118.88 19.09 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.39 173.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 82.1 m-85 -87.21 133.78 33.62 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.2 mt -129.96 144.86 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.426 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.633 HD22 ' HA ' ' A' ' 54' ' ' SER . 58.7 m-80 -105.35 139.09 40.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.391 . . . . 0.0 110.177 174.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.519 HG23 ' HG2' ' A' ' 51' ' ' MET . 7.4 p -133.14 134.13 57.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.061 0.458 . . . . 0.0 110.616 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 50' ' ' ASN . 36.1 tt0 -117.5 102.5 9.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.072 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.508 HG21 ' HB3' ' A' ' 115' ' ' SER . 74.1 p -70.51 -177.26 1.44 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.487 -175.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.402 ' HA ' ' ND2' ' A' ' 49' ' ' ASN . 57.0 mttm -77.97 -20.61 52.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.844 0.354 . . . . 0.0 111.115 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.56 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 1.3 mp0 -84.54 3.04 38.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 171.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 64.45 35.24 9.67 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.087 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.56 ' ND2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 m-80 -89.76 132.4 35.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 172.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -95.59 135.09 37.7 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 177.496 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.471 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 87.9 m-85 -129.41 142.03 50.9 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.778 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.0 m -104.36 119.76 39.68 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.483 HD22 HD21 ' A' ' 110' ' ' LEU . 58.6 mt -111.32 133.94 53.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.28 0.562 . . . . 0.0 111.402 -173.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 32.6 tt0 -100.95 98.27 8.76 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.037 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.517 HD13 ' HG ' ' A' ' 85' ' ' LEU . 57.7 tp -87.07 118.65 26.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.582 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 21.0 p -140.52 -172.21 3.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.375 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.44 -24.63 56.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.941 0.401 . . . . 0.0 111.075 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.95 0.84 56.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.567 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.21 -146.04 16.37 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.894 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.517 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.1 mp -107.14 123.03 47.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.453 0.644 . . . . 0.0 110.948 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 103' ' ' TYR . 62.7 tttt -113.89 150.82 33.1 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.781 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.676 ' HB ' ' OG1' ' A' ' 101' ' ' THR . 66.0 t -97.56 125.05 50.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.547 ' HB ' HG13 ' A' ' 95' ' ' VAL . 25.0 m -114.02 4.39 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.755 0.312 . . . . 0.0 111.643 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.505 ' HA2' HD22 ' A' ' 99' ' ' LEU . . . 163.4 165.67 20.94 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.101 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -125.75 75.71 1.51 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.009 0.909 . . . . 0.0 110.539 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.418 ' HB3' ' CB ' ' A' ' 94' ' ' GLN . . . -166.11 -173.95 2.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.387 -1.279 . . . . 0.0 108.355 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -93.07 110.0 21.48 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 55.83 69.57 0.72 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.932 -174.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.418 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 59.6 tp60 -143.9 104.48 4.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.247 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.547 HG13 ' HB ' ' A' ' 88' ' ' VAL . 85.6 t -105.67 121.58 58.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.012 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -124.88 125.21 43.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.144 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.52 -4.43 26.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.827 -176.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -77.17 -19.11 57.24 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.505 HD22 ' HA2' ' A' ' 89' ' ' GLY . 7.8 mp -103.78 111.67 24.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.689 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 pm0 -125.12 37.3 4.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.892 176.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.676 ' OG1' ' HB ' ' A' ' 87' ' ' VAL . 2.2 p -48.48 138.76 11.36 Favored Pre-proline 0 C--O 1.234 0.256 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.633 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -52.67 138.56 58.87 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.89 3.06 . . . . 0.0 113.613 -171.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.536 ' CD2' ' HB2' ' A' ' 86' ' ' LYS . 70.2 m-85 -62.77 129.41 40.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.049 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -97.01 144.43 26.91 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 121.049 -0.261 . . . . 0.0 110.41 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.05 -42.61 84.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.037 -172.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 61.8 p -130.34 162.22 29.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.518 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.439 HG21 HG13 ' A' ' 40' ' ' VAL . 11.4 p -69.66 -26.84 31.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 109.723 175.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -64.72 -48.53 74.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.953 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 113' ' ' THR . 27.2 t -68.45 -29.13 67.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.655 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.483 HD21 HD22 ' A' ' 78' ' ' LEU . 35.4 tp -72.36 -57.85 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.505 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.66 -24.5 67.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.7 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.42 -33.21 75.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.764 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 109' ' ' SER . 63.1 p -86.92 -10.05 54.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.364 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.6 mt -113.59 -28.38 7.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -171.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.508 ' HB3' HG21 ' A' ' 70' ' ' THR . 20.0 p -137.29 126.7 15.3 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.574 0.226 . . . . 0.0 111.065 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -73.08 -23.97 17.67 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.765 2.31 . . . . 0.0 112.946 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.91 -6.14 58.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.674 0.274 . . . . 0.0 111.113 -177.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.31 -50.98 69.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.156 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.92 -24.87 65.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.149 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -80.56 -37.99 30.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.94 -0.28 50.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.279 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.407 ' O ' HD13 ' A' ' 126' ' ' LEU . 77.9 t80 -57.32 -40.37 77.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.953 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.54 -33.23 86.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.489 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -65.96 -38.18 87.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.939 0.399 . . . . 0.0 110.257 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.82 88.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.433 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 122' ' ' PHE . 8.6 mp -64.67 -53.63 44.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.419 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 pp -65.89 -21.56 66.46 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.132 0.492 . . . . 0.0 111.003 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 128' ' ' GLN . 7.1 tp60 -69.22 -24.64 64.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.798 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 129' ' ' ARG . 3.0 mpt_? -56.08 -42.76 77.23 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.997 0.427 . . . . 0.0 110.671 177.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 130' ' ' LEU . 4.8 mp -80.14 -45.98 17.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.209 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.76 -44.17 97.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.467 -176.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.64 -33.19 75.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.487 0.184 . . . . 0.0 111.276 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 48.4 tp -70.83 -29.09 65.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -88.84 -25.5 22.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.637 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -72.35 -43.45 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.482 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.29 136.93 37.17 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -119.31 -147.52 8.09 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.39 -0.91 . . . . 0.0 112.896 -176.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -158.29 125.74 5.07 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.244 -175.658 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HG3' ' HG3' ' A' ' 2' ' ' GLU . 44.8 tpp . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 121.033 0.444 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.449 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 46.2 mt-10 -124.43 179.91 4.74 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.7 p -62.7 107.69 1.01 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -80.77 87.05 5.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.423 0.63 . . . . 0.0 110.981 -170.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 67.5 m -129.42 83.66 2.16 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.558 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -158.24 95.68 1.91 Allowed Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -91.04 12.64 2.3 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.146 2.564 . . . . 0.0 111.997 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.2 ptt? -136.52 -156.26 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.086 -177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -144.97 156.02 43.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.145 0.498 . . . . 0.0 110.736 174.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.6 tp -92.11 -58.38 2.41 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 170.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -161.31 80.54 0.6 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.574 -1.193 . . . . 0.0 108.056 170.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -120.97 29.2 7.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.453 -170.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.1 mmt -54.46 124.55 16.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.65 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -145.67 102.92 3.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.666 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.6 115.62 0.72 Allowed Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.37 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -147.33 18.02 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.821 0.343 . . . . 0.0 111.328 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' CD ' ' H ' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -89.52 20.53 3.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.199 0.523 . . . . 0.0 110.614 -178.682 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.89 133.42 54.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.224 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.07 -32.33 7.6 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.4 -174.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.2 m -97.61 15.15 24.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.363 0.602 . . . . 0.0 109.703 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.66 19.95 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.202 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.3 mt -81.54 85.92 6.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.701 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 71.16 -55.63 0.65 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.54 0.736 . . . . 0.0 111.954 174.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.72 43.69 7.16 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 -174.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -96.47 111.8 23.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.925 0.393 . . . . 0.0 110.825 -175.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -97.45 107.4 19.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.07 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.77 -30.17 6.23 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.763 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.5 m 66.85 93.3 0.07 Allowed 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.625 0.726 . . . . 0.0 111.049 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -76.26 -67.57 0.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.897 -174.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.1 mmt 68.01 -95.51 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 123.252 0.621 . . . . 0.0 111.715 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -148.67 123.39 9.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.559 0.219 . . . . 0.0 111.204 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.722 ' HA ' ' HA ' ' A' ' 61' ' ' ASP . 45.1 m-20 -84.2 136.72 33.84 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 33.4 tpp -71.77 -24.54 61.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.595 ' HD3' ' SG ' ' A' ' 59' ' ' CYS . 11.5 mmm180 -56.31 -38.48 71.33 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.448 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.549 ' HG ' ' HB2' ' A' ' 32' ' ' ASP . 5.8 mt -62.94 -57.09 11.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.313 0.577 . . . . 0.0 110.434 -176.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -68.0 -24.06 65.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.093 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -65.92 -52.02 53.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.2 -31.56 72.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.594 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.06 90.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.242 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.79 -47.17 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.738 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 51' ' ' MET . 76.7 t -53.42 -47.0 59.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.329 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -86.46 4.71 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.891 0.377 . . . . 0.0 111.564 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -101.37 -50.85 3.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.634 0.254 . . . . 0.0 111.067 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -104.38 17.38 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.48 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 51.8 tp -52.78 -37.28 59.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.125 -177.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -74.67 -14.68 60.78 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.504 ' O ' ' HE2' ' A' ' 71' ' ' LYS . . . -77.0 -24.66 52.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.191 0.519 . . . . 0.0 110.768 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.555 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.0 m -125.54 -167.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.799 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -76.78 -55.88 5.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -165.18 158.7 16.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.312 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.542 ' HB2' HG13 ' A' ' 41' ' ' VAL . 85.3 mtp -130.16 141.26 50.68 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -142.87 130.03 20.84 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.465 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.55 HG12 HG12 ' A' ' 66' ' ' ILE . 9.0 m -69.55 133.07 32.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.832 0.348 . . . . 0.0 110.542 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.416 ' HB3' HD13 ' A' ' 57' ' ' LEU . 35.7 m -63.42 142.8 58.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.865 -173.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -123.69 6.22 8.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.432 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 m -109.7 0.07 18.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.342 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD13 ' HB3' ' A' ' 54' ' ' SER . 4.9 mp -120.83 -93.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.316 -174.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -169.3 159.45 8.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.595 ' SG ' ' HD3' ' A' ' 34' ' ' ARG . 11.6 p 176.74 155.94 0.26 Allowed 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 123.798 0.686 . . . . 0.0 110.38 171.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -172.36 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.316 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.722 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 22.0 p-10 -121.95 -52.78 1.98 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.643 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -83.78 -41.39 17.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.172 0.51 . . . . 0.0 111.201 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 59' ' ' CYS . 3.7 p -111.91 139.89 34.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.584 -171.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.81 111.03 3.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.009 173.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -86.02 130.86 34.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.55 HG12 HG12 ' A' ' 53' ' ' VAL . 49.7 mt -126.95 132.33 70.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.56 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -97.88 120.23 37.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.1 p -112.24 123.71 68.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.942 0.401 . . . . 0.0 110.566 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.555 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 8.3 tp10 -106.85 115.44 30.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.812 177.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.46 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 80.4 p -79.89 170.08 17.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.654 -177.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 47' ' ' ALA . 66.9 mttm -66.06 -17.95 65.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.876 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -88.78 -6.14 57.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.12 23.51 2.66 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.838 0.828 . . . . 0.0 109.899 -175.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -102.19 105.6 16.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.259 173.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.79 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -108.33 150.54 27.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.059 0.456 . . . . 0.0 111.259 -167.704 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -133.88 149.57 51.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.25 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 69.2 m -100.81 122.49 43.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.421 HD13 HD23 ' A' ' 85' ' ' LEU . 83.2 mt -107.25 131.03 54.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.037 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.406 ' OE1' HG23 ' A' ' 63' ' ' VAL . 5.4 tp10 -93.42 107.26 19.12 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 172.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.4 tp -92.74 111.73 23.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.239 0.543 . . . . 0.0 109.912 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 p -140.42 -166.15 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.909 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.16 -9.87 58.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.992 0.425 . . . . 0.0 110.636 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.15 -4.24 59.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.293 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.78 -146.89 16.13 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.685 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.421 HD23 HD13 ' A' ' 78' ' ' LEU . 5.7 mp -102.91 110.26 22.11 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -113.66 110.21 19.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.028 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.64 127.71 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.162 0.506 . . . . 0.0 110.932 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 95' ' ' VAL . 6.0 m -122.38 4.06 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.117 -175.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.604 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -172.72 158.6 28.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 119.942 -1.123 . . . . 0.0 113.243 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -114.75 18.2 16.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.257 0.551 . . . . 0.0 110.285 -178.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 94' ' ' GLN . . . -142.63 162.7 34.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.363 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -67.39 129.56 40.28 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.493 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 63.67 22.97 13.34 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.011 0.819 . . . . 0.0 111.183 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.604 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 19.7 tp60 -106.18 109.2 21.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.51 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.506 HG22 HG23 ' A' ' 88' ' ' VAL . 60.8 t -131.65 127.66 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.835 0.35 . . . . 0.0 111.012 -177.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.539 ' OD2' ' HB3' ' A' ' 98' ' ' HIS . 5.1 t70 -136.81 113.81 10.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.468 177.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.76 -10.6 59.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.363 0.602 . . . . 0.0 111.087 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.539 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 19.8 t-80 -70.89 -18.52 62.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.008 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.33 115.08 6.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.799 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -93.25 42.44 1.1 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.821 0.82 . . . . 0.0 109.981 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 6.8 p -69.46 138.8 88.97 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.546 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 14.1 Cg_exo -69.11 118.79 5.9 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.766 2.311 . . . . 0.0 111.991 178.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -80.38 162.47 24.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -126.07 155.41 41.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.563 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.72 -59.63 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.57 -172.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.7 p -102.45 158.42 16.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.052 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.6 p -71.84 -26.28 25.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.114 0.483 . . . . 0.0 109.967 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -65.42 -56.19 13.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.502 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.8 p -63.05 -33.47 75.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.719 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 114' ' ' LEU . 45.2 tp -63.58 -58.33 7.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.649 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.72 -18.05 65.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -81.27 -20.48 40.82 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 -177.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 63.7 m -90.3 -15.49 31.1 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 112.546 -2.115 . . . . 0.0 110.387 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 114' ' ' LEU . 3.8 mm? -102.79 -48.99 3.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.324 -174.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.7 m -126.09 133.58 25.08 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.699 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -75.06 -24.7 12.48 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.569 2.179 . . . . 0.0 111.832 176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.71 -8.65 53.69 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.61 -50.78 72.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.413 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -69.2 -23.58 63.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.913 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -67.32 -49.14 65.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.896 176.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.97 58.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.224 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.6 -26.31 66.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.474 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' A' ' 126' ' ' LEU . . . -61.77 -17.52 54.56 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.463 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -58.96 -34.73 72.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.978 0.418 . . . . 0.0 110.263 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.76 77.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.616 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.43 HD13 ' HA2' ' A' ' 123' ' ' GLY . 7.6 mp -69.9 -44.12 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.18 -177.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.8 -23.87 62.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.933 0.397 . . . . 0.0 110.911 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -79.58 -41.85 26.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.17 0.509 . . . . 0.0 109.866 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -61.46 -31.81 71.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.364 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.485 ' HG ' ' HE3' ' A' ' 134' ' ' LYS . 48.8 tp -63.55 -30.04 71.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.998 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.46 ' HB3' ' NH1' ' A' ' 135' ' ' ARG . 64.3 mm-40 -65.15 -26.99 68.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -75.96 -31.71 59.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.822 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.07 -34.32 77.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.349 0.595 . . . . 0.0 110.105 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.485 ' HE3' ' HG ' ' A' ' 130' ' ' LEU . 92.6 mttt -72.55 -37.32 68.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.552 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.46 ' NH1' ' HB3' ' A' ' 131' ' ' GLU . 78.9 mtt85 -89.43 5.76 43.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.567 -177.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -67.76 -51.31 50.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.992 0.425 . . . . 0.0 110.775 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -149.23 -145.44 4.13 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.93 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -106.29 165.24 11.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.819 0.342 . . . . 0.0 110.645 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.079 177.194 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tmm? . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -128.42 76.36 1.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.413 0.625 . . . . 0.0 110.832 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m -112.06 21.52 15.8 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 174.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 5' ' ' CYS . 32.1 t70 64.52 -98.98 0.07 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.361 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 49.9 t 167.78 -31.48 0.0 OUTLIER 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.55 0.531 . . . . 0.0 110.391 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.9 t30 60.63 65.05 2.23 Favored Pre-proline 0 N--CA 1.464 0.258 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.525 -173.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -96.53 23.38 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.385 2.723 . . . . 0.0 113.018 -173.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.8 tpt -96.55 -52.82 3.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.204 0.526 . . . . 0.0 110.431 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -95.34 159.1 15.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.39 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 tp -84.28 89.97 7.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.184 0.516 . . . . 0.0 109.667 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -81.78 89.92 6.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.927 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 t -95.11 92.93 7.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.843 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.0 ptp -160.99 -178.91 7.11 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.899 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.2 m 59.05 79.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.934 0.771 . . . . 0.0 111.241 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.03 -85.79 0.45 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.282 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -137.32 140.58 41.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.851 0.358 . . . . 0.0 110.167 174.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -79.57 91.41 5.19 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.897 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -73.83 -41.61 62.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.128 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.57 -119.92 0.9 Allowed Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.727 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -145.94 128.22 15.8 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -101.41 179.95 4.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.399 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 tt -71.29 -79.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.441 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -175.52 156.67 1.98 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.27 38.37 3.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.845 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.5 135.61 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -103.34 103.32 13.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.989 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.62 -101.21 0.03 OUTLIER Glycine 0 C--N 1.337 0.596 0 O-C-N 123.884 0.74 . . . . 0.0 113.932 173.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.8 m 73.05 -73.26 0.1 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.125 0.57 . . . . 0.0 111.376 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -109.84 -28.2 8.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.008 0.432 . . . . 0.0 110.865 -178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -76.94 163.01 27.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.179 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -121.26 74.02 1.07 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.704 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' OD2' ' HB3' ' A' ' 34' ' ' ARG . 24.3 t70 -65.87 111.93 3.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.078 0.466 . . . . 0.0 110.235 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 30.8 tpp -68.94 -12.58 61.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.04 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.55 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 59.6 ttp85 -71.09 -23.1 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.457 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.02 -45.45 77.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 mm-40 -63.15 -30.37 71.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.3 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -69.1 -49.15 59.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.409 -178.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 43.6 mm-40 -58.29 -40.75 82.75 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.299 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.12 84.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.795 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.435 ' O ' HG22 ' A' ' 44' ' ' VAL . 74.5 t -64.29 -49.46 80.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.137 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.577 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 73.0 t -56.05 -41.65 69.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.535 -177.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -77.27 -30.72 54.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.86 0.362 . . . . 0.0 111.147 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -75.68 -47.22 27.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.91 -172.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.7 m -106.86 15.5 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.6 tp -55.94 -38.4 70.27 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.944 0.402 . . . . 0.0 111.698 -178.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.551 ' HE2' ' HA ' ' A' ' 122' ' ' PHE . 24.7 p90 -73.15 -10.66 60.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.403 -175.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 118' ' ' TYR . . . -83.88 -21.56 31.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 111.227 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.609 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 31.6 m -119.89 -167.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.376 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -84.54 -58.45 2.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -143.95 160.58 40.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.193 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.0 ttt -163.55 137.27 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.491 0.186 . . . . 0.0 110.694 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -162.34 149.73 13.88 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.492 HG21 ' HG3' ' A' ' 34' ' ' ARG . 7.4 p -61.85 145.87 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.449 ' HB3' HD13 ' A' ' 57' ' ' LEU . 31.6 m -63.02 137.39 58.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.019 0.438 . . . . 0.0 110.502 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -107.87 -4.1 18.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.503 -171.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -110.3 7.83 23.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.017 0.437 . . . . 0.0 110.974 -174.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' A' ' 54' ' ' SER . 5.0 mp -128.97 -148.63 0.38 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.888 -174.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -142.19 161.55 37.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -171.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 24.7 p -132.61 95.35 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.442 0.639 . . . . 0.0 110.099 173.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.05 72.56 5.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.277 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 33' ' ' MET . 0.7 OUTLIER 60.21 -84.9 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.258 -176.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.628 ' O ' ' HA ' ' A' ' 81' ' ' THR . 21.3 t70 -66.33 -34.72 78.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.063 -171.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 6.5 p -107.16 122.4 61.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.987 0.422 . . . . 0.0 111.81 -174.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 33' ' ' MET . . . -134.02 127.38 32.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.021 172.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -89.8 129.81 36.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.047 0.451 . . . . 0.0 110.827 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 56.1 mt -115.66 138.25 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.377 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -104.09 132.1 50.68 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 11.6 p -141.84 141.11 29.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.085 0.469 . . . . 0.0 111.154 -173.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.609 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 44.9 tt0 -123.71 109.06 13.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.19 178.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.544 HG22 ' HB2' ' A' ' 115' ' ' SER . 56.1 p -63.0 170.81 2.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.282 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -74.84 -2.64 27.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.754 0.312 . . . . 0.0 111.303 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -95.93 3.53 53.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 171.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 66.97 15.19 10.1 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.76 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -78.23 114.8 17.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 171.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.556 ' HD2' ' HD1' ' A' ' 92' ' ' PHE . 53.8 mtm180 -96.05 136.08 36.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.952 0.406 . . . . 0.0 110.42 -177.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -129.6 148.59 51.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.112 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 98.6 m -108.59 116.86 32.77 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 173.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.442 HD13 HD21 ' A' ' 110' ' ' LEU . 31.1 mt -106.15 132.99 51.56 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.701 -172.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -94.66 101.01 12.85 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 85' ' ' LEU . 63.4 tp -87.12 115.49 24.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.294 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.628 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 9.5 p -124.87 164.88 19.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.036 174.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.04 -26.67 68.66 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.882 0.373 . . . . 0.0 111.012 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.75 -6.49 59.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 139.86 -176.84 20.96 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.204 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.645 HD23 HD13 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -127.42 145.71 50.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.76 0.314 . . . . 0.0 111.083 -178.876 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.403 ' HG2' ' HD1' ' A' ' 103' ' ' TYR . 0.3 OUTLIER -132.53 160.81 35.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.109 -179.755 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.1 t -87.59 110.83 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.12 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.535 ' HB ' HG13 ' A' ' 95' ' ' VAL . 17.8 m -109.59 1.55 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.028 0.442 . . . . 0.0 111.589 -178.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.579 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -165.94 162.51 36.0 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.015 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -137.76 45.8 2.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.703 0.763 . . . . 0.0 110.5 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -150.27 -167.59 2.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.544 176.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.556 ' HD1' ' HD2' ' A' ' 75' ' ' ARG . 4.9 t80 -95.12 104.44 16.32 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.84 62.92 1.19 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.23 -174.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.579 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 21.2 tm0? -143.71 115.53 8.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.497 -176.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.535 HG13 ' HB ' ' A' ' 88' ' ' VAL . 71.1 t -123.47 116.29 47.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.682 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.546 ' HB3' HD13 ' A' ' 99' ' ' LEU . 33.9 t70 -107.46 141.28 39.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.238 0.542 . . . . 0.0 111.349 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.93 -22.9 65.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.256 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.401 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 54.7 m80 -84.75 -8.87 58.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -170.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.546 HD13 ' HB3' ' A' ' 96' ' ' ASP . 8.5 mp -77.65 109.39 11.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.265 0.555 . . . . 0.0 110.61 175.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -107.09 70.75 0.81 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.21 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 13.1 p -93.54 157.14 38.97 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.55 -174.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 3.3 Cg_exo -80.53 -166.15 0.39 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.99 2.46 . . . . 0.0 111.307 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.403 ' HD1' ' HG2' ' A' ' 86' ' ' LYS . 10.7 m-85 -107.32 167.74 9.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.284 0.564 . . . . 0.0 111.087 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -134.58 143.16 47.21 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 164.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.45 -61.25 1.99 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.231 0.539 . . . . 0.0 110.989 -174.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.0 m -122.95 150.68 42.65 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.503 -172.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.56 -25.67 37.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.871 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -63.91 -49.34 73.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.3 m -65.41 -38.74 90.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.068 0.461 . . . . 0.0 110.661 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.498 HD22 HD13 ' A' ' 85' ' ' LEU . 11.3 tp -63.94 -49.7 71.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.335 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.488 HD11 ' CG1' ' A' ' 48' ' ' VAL . 22.5 tp -62.54 -32.98 74.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -174.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.11 -39.55 93.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.171 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.9 p -67.35 -19.57 65.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.248 0.547 . . . . 0.0 111.073 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 47.7 mt -104.08 -45.38 4.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.149 -175.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.544 ' HB2' HG22 ' A' ' 70' ' ' THR . 22.9 t -125.86 99.0 32.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.297 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.93 -16.11 52.95 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.825 2.35 . . . . 0.0 112.169 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.44 -8.15 53.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.396 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.451 ' HA ' ' HB1' ' A' ' 47' ' ' ALA . 6.6 t80 -57.96 -45.08 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.459 175.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -70.1 -38.92 75.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.247 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.38 -50.35 68.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.941 0.401 . . . . 0.0 110.61 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.88 95.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.183 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.551 ' HA ' ' HE2' ' A' ' 46' ' ' PHE . 73.4 t80 -64.11 -45.85 86.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.047 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.13 -40.48 99.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.398 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.408 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 9.9 t30 -70.54 -39.31 74.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.881 0.372 . . . . 0.0 110.786 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.98 -30.66 68.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.139 0.495 . . . . 0.0 110.708 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 33.8 tp -68.4 -43.41 77.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.061 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 124' ' ' ASN . 4.5 pp -71.4 -9.73 58.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.652 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -62.13 -27.18 68.76 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.816 0.341 . . . . 0.0 110.097 175.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -64.28 -28.78 69.95 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.346 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.21 -28.1 29.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.033 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -71.62 -45.56 61.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.113 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.55 -30.12 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.752 177.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 58.7 tp -69.38 -49.22 57.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.817 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -71.04 -32.72 69.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.659 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -77.43 -14.46 59.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.64 0.257 . . . . 0.0 111.192 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.12 -39.56 71.95 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 174.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.9 -109.61 3.01 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.337 -0.847 . . . . 0.0 113.021 174.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -104.36 11.5 34.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.25 1.082 0 O-C-N 123.755 0.659 . . . . 0.0 110.321 -175.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.2 mtt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 49.33 -154.75 0.1 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 123.883 0.74 . . . . 0.0 112.464 172.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 m -79.19 78.07 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.279 0.561 . . . . 0.0 110.188 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -109.41 -39.07 5.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.428 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 p -109.3 138.93 44.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.644 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -133.93 134.68 23.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.504 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.94 101.39 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.558 2.172 . . . . 0.0 112.636 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.5 mmm -103.95 2.09 32.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.083 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -83.95 30.31 0.52 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.576 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.6 tp 61.64 23.62 13.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.62 0.724 . . . . 0.0 110.517 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 t -93.39 178.6 5.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.978 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 t -143.9 -170.89 3.43 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.7 mtt -63.38 108.43 1.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.986 0.422 . . . . 0.0 110.373 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.5 m -94.86 6.05 50.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.146 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.24 151.24 18.73 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.2 p90 39.45 59.55 1.75 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.569 0.747 . . . . 0.0 112.251 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -78.04 110.61 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.258 -177.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -85.64 150.88 24.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.373 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.03 110.44 2.86 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.879 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.1 m -76.54 135.32 39.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.036 0.446 . . . . 0.0 111.122 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -92.56 -17.17 24.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.102 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.55 127.61 32.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.102 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -104.96 158.71 16.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.936 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.47 143.55 28.32 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.496 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -60.66 -43.99 96.98 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.245 0.545 . . . . 0.0 109.573 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -74.89 86.68 2.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.601 172.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 165.49 -41.73 0.28 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 m -91.84 81.4 5.2 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -77.06 -39.99 47.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.342 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.6 tpt -135.12 151.34 50.62 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -113.6 95.82 5.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.244 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.545 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 1.1 m-20 -59.95 107.28 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.516 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.611 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 30.2 tpp -66.47 -18.31 65.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.419 . . . . 0.0 110.86 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.501 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 9.8 mtp180 -68.45 -27.72 66.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.6 -178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 32' ' ' ASP . 6.6 mt -70.44 -46.6 63.55 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 176.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 40' ' ' VAL . 5.3 mm-40 -58.93 -34.67 72.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.114 175.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -67.03 -53.7 28.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.271 -176.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.3 -30.47 70.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.161 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.85 86.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.338 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.498 HG13 HG11 ' A' ' 107' ' ' VAL . 55.0 t -60.31 -45.71 95.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.997 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.662 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 85.0 t -53.08 -57.46 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.829 -177.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -70.46 -27.89 64.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.658 0.266 . . . . 0.0 111.334 -174.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -73.92 -49.18 25.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 m -116.38 19.6 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.662 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 8.4 tt -60.38 -32.78 71.63 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -65.25 -11.82 45.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.531 -175.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HA ' ' CB ' ' A' ' 121' ' ' ALA . . . -86.29 -10.45 54.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.683 0.278 . . . . 0.0 111.261 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.723 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.2 m -134.63 -168.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.149 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -81.96 -47.93 12.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.193 0.52 . . . . 0.0 110.267 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -160.57 154.82 23.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.04 -174.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.639 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 22.4 ttm -153.02 139.25 18.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -157.91 151.36 23.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.529 0.204 . . . . 0.0 110.581 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.0 p -76.86 141.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.369 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.404 ' CB ' HD23 ' A' ' 57' ' ' LEU . 13.9 m -80.84 122.03 26.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.11 0.481 . . . . 0.0 111.476 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -113.78 18.58 17.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.688 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -135.36 18.54 3.38 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -172.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 93' ' ' ASP . 7.1 tp -130.01 -83.95 0.54 Allowed 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 113.302 -1.772 . . . . 0.0 109.832 -162.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.517 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER 173.29 141.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 168.053 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.4 p -145.85 80.19 1.58 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.654 0.74 . . . . 0.0 111.456 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 62' ' ' ASP . . . -86.86 102.44 14.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 169.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.611 ' O ' ' HB2' ' A' ' 33' ' ' MET . 25.8 m-20 -32.67 -16.0 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -164.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 60' ' ' ALA . 9.7 t70 -64.56 -25.61 68.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 119.315 0.961 . . . . 0.0 109.106 166.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.2 p -142.12 142.07 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.233 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.67 123.78 8.81 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 47.0 m-85 -86.25 140.92 29.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.448 0.642 . . . . 0.0 111.404 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 55.2 mt -119.93 134.3 63.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.591 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.797 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 93.9 m-20 -96.29 106.25 18.44 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.911 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.504 ' HB ' ' HG3' ' A' ' 51' ' ' MET . 11.4 p -112.88 135.7 51.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.928 0.394 . . . . 0.0 110.337 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.723 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 26.8 tt0 -115.87 115.74 26.76 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.698 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.8 p -63.34 171.2 2.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -68.24 -14.56 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.715 0.293 . . . . 0.0 111.433 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -93.29 8.99 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.005 0.431 . . . . 0.0 110.292 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 71.64 6.78 5.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.426 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -77.71 122.95 26.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 90' ' ' TYR . 3.4 mtm-85 -96.45 146.4 24.81 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.044 0.449 . . . . 0.0 111.223 -172.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -131.58 114.17 14.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.577 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.439 ' O ' HG22 ' A' ' 88' ' ' VAL . 13.9 t -81.64 108.51 15.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 78.6 mt -100.5 133.01 45.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.143 0.497 . . . . 0.0 111.436 -172.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 41.1 tt0 -93.53 98.82 11.43 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.196 176.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.39 114.63 20.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.851 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.446 HG23 ' HG2' ' A' ' 79' ' ' GLU . 26.1 p -132.94 179.63 6.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.178 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -72.38 -9.15 58.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.02 0.438 . . . . 0.0 110.618 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.34 0.86 46.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.62 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.46 -158.68 14.32 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.693 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' HB2' HD22 ' A' ' 110' ' ' LEU . 6.3 mp -110.51 127.13 55.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.03 0.443 . . . . 0.0 110.579 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.582 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 81.5 tttt -114.58 154.45 28.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.935 -178.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.535 ' HB ' ' OG1' ' A' ' 101' ' ' THR . 50.1 t -103.21 116.06 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 121.95 -0.469 . . . . 0.0 110.146 177.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.499 HG21 HG22 ' A' ' 95' ' ' VAL . 34.6 m -111.01 -11.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -168.96 163.11 36.9 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 119.578 -1.296 . . . . 0.0 113.327 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 75' ' ' ARG . 65.4 m-85 -99.76 11.21 39.83 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.77 173.01 12.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.927 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.797 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 46.2 m-85 -72.02 127.28 32.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.339 -178.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.587 ' HA ' HD22 ' A' ' 57' ' ' LEU . 1.7 m-20 64.14 24.36 13.43 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.227 0.537 . . . . 0.0 110.688 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.468 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 20.8 tp60 -100.86 103.45 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.129 -178.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.499 HG22 HG21 ' A' ' 88' ' ' VAL . 94.5 t -110.1 101.6 12.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.539 ' HB3' HD13 ' A' ' 99' ' ' LEU . 10.7 t70 -101.49 145.09 29.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.709 -173.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.83 -14.2 60.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.199 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -92.87 9.25 36.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.342 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' A' ' 96' ' ' ASP . 6.7 mp -120.41 102.41 8.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.228 0.537 . . . . 0.0 111.824 174.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.22 40.26 3.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.594 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.535 ' OG1' ' HB ' ' A' ' 87' ' ' VAL . 46.7 p -54.75 151.62 14.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.838 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.38 120.5 8.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.905 2.403 . . . . 0.0 112.422 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -84.31 145.36 28.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.103 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -110.49 155.23 22.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.003 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.569 ' HG2' HG23 ' A' ' 106' ' ' THR . 0.0 OUTLIER -67.73 -38.01 82.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.787 -173.272 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.569 HG23 ' HG2' ' A' ' 105' ' ' GLU . 23.5 p -121.68 153.63 37.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.748 0.308 . . . . 0.0 111.429 -176.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.498 HG11 HG13 ' A' ' 40' ' ' VAL . 11.0 p -68.58 -27.12 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -62.19 -56.35 19.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.981 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.9 m -77.42 -3.16 38.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.528 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.443 HD22 ' HB2' ' A' ' 85' ' ' LEU . 51.4 tp -95.98 -55.34 3.01 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.999 -0.438 . . . . 0.0 110.724 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.485 ' HA ' HD12 ' A' ' 114' ' ' LEU . 14.5 tp -62.33 -26.62 68.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.144 0.497 . . . . 0.0 109.88 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.64 -26.89 67.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.198 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 44.6 p -90.87 -2.41 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.347 0.594 . . . . 0.0 110.576 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 111' ' ' LEU . 37.8 mt -110.0 -35.55 6.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.923 -175.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -143.07 111.69 5.61 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.564 0.221 . . . . 0.0 110.945 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.66 -21.79 48.98 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.242 2.628 . . . . 0.0 113.078 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.96 -6.4 38.4 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.656 0.265 . . . . 0.0 111.277 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.42 ' CD1' HD23 ' A' ' 111' ' ' LEU . 77.8 t80 -57.24 -54.9 41.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.531 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -63.45 -41.67 98.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.193 -175.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -62.14 -48.18 81.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.243 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 47' ' ' ALA . . . -61.35 -46.1 91.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -59.84 -49.6 77.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.52 -42.08 99.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.474 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -72.11 -26.73 62.24 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.762 -0.258 . . . . 0.0 111.019 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 129' ' ' ARG . . . -62.28 -36.7 82.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.715 0.293 . . . . 0.0 110.547 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.69 -43.83 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.401 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.3 pp -80.36 -30.33 37.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.75 0.31 . . . . 0.0 111.196 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -72.37 -29.69 64.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.273 0.559 . . . . 0.0 109.705 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 125' ' ' ALA . 1.5 tpt180 -57.6 -39.99 78.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.817 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.08 -46.98 84.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.608 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.54 ' HA ' ' HD3' ' A' ' 134' ' ' LYS . 71.5 mm-40 -63.35 -39.35 94.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.16 83.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.82 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 91.1 mt -68.16 -17.47 64.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.087 0.47 . . . . 0.0 111.063 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.54 ' HD3' ' HA ' ' A' ' 131' ' ' GLU . 54.5 mtpt -88.71 -7.81 55.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.197 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.499 ' HD3' ' O ' ' A' ' 131' ' ' GLU . 11.0 mpt_? -95.15 -1.84 51.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.934 0.397 . . . . 0.0 110.744 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -140.29 137.34 34.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.568 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -135.99 20.43 3.61 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.288 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -142.74 100.36 3.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.695 0.283 . . . . 0.0 110.403 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.354 179.324 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 ttm . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.805 0.336 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -80.78 92.93 6.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.275 0.559 . . . . 0.0 110.569 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -99.89 44.7 1.01 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.737 0.78 . . . . 0.0 109.327 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.4 t70 69.81 101.94 0.06 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.33 -174.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 67.4 m -81.83 129.31 34.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.256 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -65.08 152.23 91.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.011 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.96 100.07 0.08 OUTLIER 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.968 2.445 . . . . 0.0 112.8 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.0 ttp -92.29 102.3 14.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.629 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -96.41 165.61 12.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.066 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 mp -76.09 111.26 11.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.902 0.382 . . . . 0.0 110.314 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.8 p -159.32 163.72 35.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.083 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 p -71.9 136.84 47.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.787 0.327 . . . . 0.0 110.197 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 ptp -120.04 178.89 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.077 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.1 t -134.93 151.18 50.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.924 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.72 -68.52 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.172 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -140.28 34.78 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -86.73 95.63 9.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.205 -169.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -118.14 -21.62 8.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.832 0.348 . . . . 0.0 110.791 174.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.26 -57.92 4.22 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.818 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.2 m -85.9 -162.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.641 ' HB3' ' HE2' ' A' ' 25' ' ' PHE . 2.8 mp0 -57.46 132.2 52.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.407 176.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.07 117.42 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.824 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.3 t30 68.71 151.77 0.09 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.35 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.64 107.36 2.22 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.405 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.641 ' HE2' ' HB3' ' A' ' 21' ' ' GLU . 99.4 m-85 -74.43 -26.67 60.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.319 0.58 . . . . 0.0 109.86 175.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -94.05 140.04 30.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.472 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.58 16.54 35.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.171 -175.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.8 t -170.8 179.87 3.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -115.83 153.93 30.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.346 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 85.8 mmm -77.29 106.61 9.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.041 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -120.22 33.25 5.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.361 -175.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 7.0 m-20 -65.08 127.4 31.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.832 176.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.574 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 19.5 tpp -63.14 -34.02 76.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.156 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -37.79 76.55 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.407 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 25.3 tp -58.24 -59.56 5.13 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.882 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.6 mm-40 -61.09 -29.52 69.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.583 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -63.29 -40.84 98.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.259 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -59.68 -45.38 92.25 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.038 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.42 85.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.815 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.547 HG13 HG11 ' A' ' 107' ' ' VAL . 54.7 t -58.45 -52.01 64.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.654 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 37' ' ' ALA . 94.5 t -57.54 -41.15 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.86 -175.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -81.15 -16.4 53.05 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -176.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -91.74 -48.01 7.04 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.513 -176.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 40' ' ' VAL . 32.6 m -94.23 5.74 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 62.8 tp -57.56 -29.23 64.24 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 111.8 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -71.76 -21.35 61.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.338 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.25 -5.68 58.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.917 0.389 . . . . 0.0 111.483 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.657 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.7 m -132.42 -170.8 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.165 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -89.43 -60.07 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.055 0.455 . . . . 0.0 109.861 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -136.69 156.54 48.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.94 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.2 ttt -166.49 132.36 2.35 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -158.58 154.86 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.936 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.563 HG12 HG12 ' A' ' 66' ' ' ILE . 14.3 m -72.88 131.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.595 ' CB ' HD12 ' A' ' 57' ' ' LEU . 20.3 m -67.13 130.35 42.84 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.315 0.579 . . . . 0.0 111.215 -174.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -105.65 7.46 32.69 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.271 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.464 ' HB3' ' OD1' ' A' ' 93' ' ' ASP . 46.3 t -106.24 -0.81 24.19 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 173.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 65' ' ' TYR . 40.2 mt -114.22 -153.49 0.52 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.057 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.0 ptt-85 -131.9 147.94 52.5 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.997 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.5 m -153.81 151.75 29.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.039 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.84 -77.8 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.334 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.574 ' O ' ' HB2' ' A' ' 33' ' ' MET . 18.1 p30 -148.98 -41.37 0.15 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.21 -175.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.16 -37.31 54.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.16 0.505 . . . . 0.0 111.299 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 p -131.04 147.57 33.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.032 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . . . -142.63 108.66 5.2 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.033 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.633 ' HB3' HD13 ' A' ' 57' ' ' LEU . 42.1 m-85 -86.53 111.44 20.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.056 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.563 HG12 HG12 ' A' ' 53' ' ' VAL . 53.2 mt -117.09 133.39 63.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.037 -176.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -100.34 126.83 46.74 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.4 p -131.37 148.33 32.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.318 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.657 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 35.7 tt0 -134.1 115.39 14.22 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.6 p -64.61 169.43 4.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.74 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -69.89 -13.91 62.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.136 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -86.7 10.89 14.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.586 174.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 67.05 19.45 10.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.149 173.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -103.62 130.25 51.02 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.734 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -103.95 151.89 22.64 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.464 -172.438 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -137.54 144.97 42.37 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.655 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.6 m -101.54 120.15 39.86 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 169.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' CD2' HG12 ' A' ' 87' ' ' VAL . 60.9 mt -104.02 127.13 51.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.896 0.379 . . . . 0.0 111.034 -175.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -94.39 95.6 8.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.464 HD13 ' HG ' ' A' ' 85' ' ' LEU . 61.5 tp -85.53 118.41 25.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.594 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 p -137.27 -179.13 5.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.343 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -77.14 2.54 14.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.009 0.433 . . . . 0.0 110.382 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.85 0.09 35.01 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.27 -176.79 16.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.296 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.464 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.1 mp -99.87 111.13 23.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.755 0.312 . . . . 0.0 110.363 178.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.613 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 25.3 ttpp -114.64 128.57 56.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.113 178.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.517 HG12 ' CD2' ' A' ' 78' ' ' LEU . 17.7 m -75.02 136.41 25.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.823 0.344 . . . . 0.0 110.097 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.473 HG21 HG22 ' A' ' 95' ' ' VAL . 15.9 m -119.32 -1.52 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.572 -177.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.89 157.82 27.3 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.193 -1.004 . . . . 0.0 112.579 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.19 22.73 12.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.751 0.786 . . . . 0.0 110.219 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.41 -168.46 1.91 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.068 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -92.81 126.0 37.69 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.464 ' OD1' ' HB3' ' A' ' 56' ' ' SER . 35.2 m-20 59.33 52.73 5.74 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.755 0.659 . . . . 0.0 110.97 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -124.23 123.37 40.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.609 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.473 HG22 HG21 ' A' ' 88' ' ' VAL . 93.3 t -128.95 108.71 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.043 0.449 . . . . 0.0 110.844 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.413 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 12.0 t70 -105.01 127.04 52.69 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.315 175.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -90.14 -11.58 40.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.114 0.483 . . . . 0.0 110.928 -174.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -78.73 -31.33 46.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.917 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.413 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 55.9 mt -53.94 120.86 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.863 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.2 86.75 2.41 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 173.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.8 p -107.46 149.26 38.6 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.463 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -65.62 114.05 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.124 1.883 . . . . 0.0 112.896 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.613 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 3.2 p90 -74.84 117.78 17.07 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.291 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -88.15 153.0 21.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.831 -172.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.536 ' HG2' HG23 ' A' ' 106' ' ' THR . 9.5 tt0 -49.75 -61.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 124.746 1.279 . . . . 0.0 111.702 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.536 HG23 ' HG2' ' A' ' 105' ' ' GLU . 5.2 p -130.62 166.2 21.17 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.827 -175.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.547 HG11 HG13 ' A' ' 40' ' ' VAL . 12.5 p -66.8 -27.97 41.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.008 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -66.56 -50.01 64.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.399 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 p -69.25 -36.28 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.45 -51.55 55.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.292 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.472 HD21 HG13 ' A' ' 48' ' ' VAL . 13.5 tp -65.0 -26.04 68.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 0.0 110.063 -176.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.76 -29.19 67.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.983 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.2 p -86.88 -11.43 50.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.355 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.9 mt -114.9 -26.51 7.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.7 t -123.1 103.59 36.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.876 0.369 . . . . 0.0 110.483 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.02 19.52 0.42 Allowed 'Trans proline' 0 N--CA 1.471 0.177 0 C-N-CA 123.415 2.743 . . . . 0.0 112.015 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -119.0 -0.14 11.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.793 172.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -65.04 -47.56 76.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.775 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.665 ' HD3' ' H ' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -62.83 -48.29 79.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.528 0.68 . . . . 0.0 109.713 -179.15 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -58.64 -47.26 85.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.964 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.17 94.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.27 -47.22 85.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.281 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.47 -35.14 91.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.753 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -64.59 -39.3 93.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.497 0.189 . . . . 0.0 111.007 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.69 83.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.035 0.445 . . . . 0.0 110.788 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.94 -48.14 75.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.959 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 pp -74.14 -17.35 60.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 110.944 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -43.5 40.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.332 -0.395 . . . . 0.0 109.971 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.459 ' O ' ' HG ' ' A' ' 133' ' ' LEU . 3.2 ptm180 -70.63 -15.05 62.7 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.3 tp -65.53 -22.95 66.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.083 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -82.29 -35.03 28.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.149 0.5 . . . . 0.0 109.92 174.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.63 84.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.401 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 129' ' ' ARG . 97.6 mt -62.23 -41.47 98.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.805 177.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -61.73 -36.21 80.32 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.264 0.554 . . . . 0.0 110.584 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 135' ' ' ARG . 25.0 mtp180 -83.98 -5.65 59.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.367 -175.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -94.8 142.48 27.42 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.66 -65.65 3.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.44 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -143.25 100.06 3.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.119 0.485 . . . . 0.0 110.634 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.275 178.708 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.179 0.038 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.679 ' HG3' ' H ' ' A' ' 4' ' ' ASP . 10.5 tp10 67.64 151.9 0.08 Allowed 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.666 0.604 . . . . 0.0 111.25 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 t -119.91 5.84 10.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.643 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.679 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 21.0 t70 -115.8 147.37 41.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.137 -177.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.3 p -143.3 69.76 1.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.742 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.7 t30 67.79 96.3 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.324 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.494 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -76.04 -79.57 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.863 2.375 . . . . 0.0 113.835 -174.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -115.47 169.83 8.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 111.054 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -83.1 124.57 30.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.123 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.491 ' HG ' ' H ' ' A' ' 11' ' ' SER . 30.3 tp -73.0 173.24 9.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.853 178.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.491 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 5.7 m -62.07 -14.56 37.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.238 0.542 . . . . 0.0 111.434 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -145.04 151.95 39.35 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 172.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 65.9 mtt -70.09 109.65 4.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.701 0.286 . . . . 0.0 110.909 -174.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.3 m 67.78 18.76 9.72 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.294 -173.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.36 -176.5 51.95 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -174.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -79.65 96.17 6.13 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -51.11 -56.8 10.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.537 -175.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -169.01 148.49 4.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.7 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.77 34.51 5.08 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.939 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.42 ' HB3' ' HG ' ' A' ' 22' ' ' LEU . 29.1 m -68.91 -34.08 74.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.385 0.136 . . . . 0.0 110.829 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 54.6 40.59 31.96 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.652 0.595 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.42 ' HG ' ' HB3' ' A' ' 20' ' ' SER . 79.9 mt -78.95 125.5 29.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.408 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -75.86 94.0 3.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.05 0.452 . . . . 0.0 110.163 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.38 91.42 2.13 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.909 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -86.34 106.48 17.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.883 0.373 . . . . 0.0 110.566 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -92.06 -65.99 0.96 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.925 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.09 -47.24 3.49 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.719 172.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 m -81.51 75.11 8.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.278 0.561 . . . . 0.0 111.584 -174.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -80.16 -51.83 8.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 171.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 57.7 ttp 58.38 89.44 0.05 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.877 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 20.2 tptm -130.39 139.42 50.63 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 174.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.505 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 12.0 m-20 -65.92 113.99 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.988 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 33.8 tpp -63.52 -32.23 73.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.283 0.563 . . . . 0.0 109.858 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -68.69 -30.42 69.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.814 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.505 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 16.9 tp -67.04 -57.47 6.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.615 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 40' ' ' VAL . 47.2 mm-40 -59.18 -31.92 69.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.17 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -62.66 -48.69 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.81 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.35 -37.48 87.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.4 84.93 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.348 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.512 HG13 HG11 ' A' ' 107' ' ' VAL . 52.8 t -59.54 -49.69 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.164 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.447 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 62.0 t -56.06 -47.45 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.284 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.404 HD22 ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -67.27 -36.84 82.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.818 0.342 . . . . 0.0 110.593 -178.701 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.61 -48.82 65.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.723 -173.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 40' ' ' VAL . 35.9 m -103.5 16.45 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 111.713 -175.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.1 tp -56.75 -35.83 69.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.591 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -76.56 -9.89 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.457 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.32 -14.64 37.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.815 0.34 . . . . 0.0 111.322 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.59 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.0 m -126.88 -172.58 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.326 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -84.27 -54.83 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.248 0.547 . . . . 0.0 109.851 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -141.81 150.42 41.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.757 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.417 ' HB3' HG13 ' A' ' 41' ' ' VAL . 10.2 ttt -156.58 132.78 9.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -153.38 146.63 24.75 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 -177.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 m -68.51 -173.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.404 0.145 . . . . 0.0 111.173 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.842 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.2 m -51.1 111.22 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.234 0.54 . . . . 0.0 111.97 -175.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -82.25 -22.09 35.97 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.037 175.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.45 2.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.776 -173.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.842 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 3.3 mm? -98.87 -154.78 0.47 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.606 0.717 . . . . 0.0 109.55 -174.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 58' ' ' ARG . 5.8 ptp180 -120.99 144.74 48.35 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.636 -1.165 . . . . 0.0 108.479 175.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 10.7 p -163.65 124.92 2.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.23 0.538 . . . . 0.0 110.781 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -163.09 -61.45 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.798 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 33' ' ' MET . 12.1 t70 -122.42 -69.54 0.82 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.595 -161.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.46 -20.46 15.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.654 -174.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 9.9 p -136.81 146.6 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.26 -174.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.492 ' HA ' ' HB3' ' A' ' 59' ' ' CYS . . . -158.77 115.9 2.79 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.116 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CG ' ' HG ' ' A' ' 57' ' ' LEU . 66.9 m-85 -85.69 146.83 26.64 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.153 177.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.472 HD11 ' HB1' ' A' ' 37' ' ' ALA . 55.3 mt -133.1 127.32 54.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.12 0.486 . . . . 0.0 110.307 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.478 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 14.7 m120 -91.03 110.6 21.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.153 177.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.5 p -116.03 138.91 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.227 0.537 . . . . 0.0 111.397 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.59 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.0 tt0 -123.89 105.18 9.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.493 176.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.413 ' HA ' HG12 ' A' ' 48' ' ' VAL . 76.7 p -64.53 165.55 9.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.413 -176.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 68.3 mttm -65.05 -25.93 68.03 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.035 0.445 . . . . 0.0 110.481 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.1 mp0 -73.59 2.12 8.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.673 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 73.84 2.14 4.13 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.626 0.77 . . . . 0.0 110.944 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -76.37 135.1 39.51 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -113.28 128.83 56.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.124 -172.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -119.7 143.83 47.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.189 0.518 . . . . 0.0 111.202 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 37.1 t -104.52 108.41 19.83 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 171.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 88.1 mt -103.44 131.84 50.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.133 0.492 . . . . 0.0 111.574 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -99.33 100.73 11.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.012 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.555 HD13 ' HG ' ' A' ' 85' ' ' LEU . 52.4 tp -86.98 115.47 24.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.063 0.459 . . . . 0.0 110.188 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.0 p -123.34 -179.58 4.37 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.537 -0.756 . . . . 0.0 108.998 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -70.62 -15.29 62.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.429 0.633 . . . . 0.0 109.466 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.43 -21.25 39.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.768 176.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.76 -168.77 24.12 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.754 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.555 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.2 mp -96.85 121.52 38.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -113.05 141.72 46.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.265 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.5 t -86.33 111.98 22.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.6 m -108.61 -1.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.15 155.63 19.62 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.814 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -102.56 23.02 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 110.658 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -150.84 165.47 33.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.592 177.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 24.4 m-85 -70.21 134.01 47.64 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.964 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 65.98 27.68 10.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.323 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -111.88 113.01 25.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.8 t -117.57 99.84 8.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.364 174.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -97.82 127.35 43.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.282 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -85.4 5.44 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.776 -174.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -93.22 -25.22 17.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.0 mt -69.12 125.57 27.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.123 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -114.71 26.95 9.79 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 174.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.19 125.48 50.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.977 -177.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.27 134.81 54.28 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 123.033 2.489 . . . . 0.0 112.804 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -89.88 159.5 16.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.81 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -123.78 142.67 50.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -62.74 -52.69 62.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.727 0.298 . . . . 0.0 111.598 -174.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 56.2 p -106.82 151.65 24.92 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.905 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.512 HG11 HG13 ' A' ' 40' ' ' VAL . 9.6 p -63.82 -28.19 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 177.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -63.67 -54.29 37.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.9 m -72.28 -2.67 19.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.529 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 53.8 tp -97.11 -59.19 1.84 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.956 0.407 . . . . 0.0 110.976 174.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.541 HD23 ' CD1' ' A' ' 118' ' ' TYR . 10.8 tp -73.21 -19.46 61.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.549 -170.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.431 ' OD1' ' HB3' ' A' ' 119' ' ' ARG . 31.9 t70 -82.59 -20.32 36.7 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.895 1.331 . . . . 0.0 107.558 -175.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.1 m -88.52 -16.07 33.61 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 112.734 -2.03 . . . . 0.0 110.003 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 93.0 mt -100.59 -59.88 1.62 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.26 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 65.2 m -102.31 127.03 31.56 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 112.074 -173.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -66.09 -32.86 42.68 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.656 2.237 . . . . 0.0 111.45 172.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.5 -20.56 63.71 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.159 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.541 ' CD1' HD23 ' A' ' 111' ' ' LEU . 66.8 t80 -58.95 -62.59 1.77 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.462 177.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.46 ' HA ' ' HB3' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -67.43 -21.46 65.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -177.001 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.86 -51.35 65.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.758 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.74 -30.81 46.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.946 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.46 ' HB3' ' HA ' ' A' ' 119' ' ' ARG . 57.0 t80 -60.85 -37.99 84.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.593 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.64 -32.96 85.23 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.166 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.532 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 26.3 t-20 -65.69 -39.78 91.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.119 0.485 . . . . 0.0 110.159 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.06 -33.42 74.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.672 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.52 -43.31 77.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.603 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 124' ' ' ASN . 4.6 pp -67.64 -33.69 75.47 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.112 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.412 ' N ' HD12 ' A' ' 127' ' ' LEU . 53.2 tt0 -69.67 -40.58 76.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.141 0.496 . . . . 0.0 109.695 176.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.401 ' O ' HD13 ' A' ' 133' ' ' LEU . 24.7 tpt85 -58.06 -40.86 82.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.555 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.17 -49.79 22.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.467 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -62.0 -34.0 75.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.34 -175.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.92 -40.69 85.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 129' ' ' ARG . 10.9 mp -80.4 -34.16 36.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -60.65 -41.46 95.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.435 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -88.6 -49.73 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.076 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.2 t70 69.71 -66.01 0.28 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.647 0.779 . . . . 0.0 110.861 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -156.49 -99.67 0.16 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -138.45 94.71 2.88 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.626 -177.517 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.876 0.37 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -141.2 142.89 33.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.141 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.5 m -135.0 167.67 20.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.59 -46.74 89.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.812 0.339 . . . . 0.0 110.649 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.1 p -71.39 121.37 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -98.69 110.75 58.32 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -56.93 140.02 91.02 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.829 2.352 . . . . 0.0 112.336 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.4 ttm -76.61 94.04 3.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.249 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -49.18 3.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.148 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' HB3' ' H ' ' A' ' 11' ' ' SER . 4.5 mm? 57.77 -136.83 0.96 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.416 ' H ' ' HB3' ' A' ' 10' ' ' LEU . 33.3 m -154.18 -167.02 2.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 t -65.03 -20.87 66.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.834 0.35 . . . . 0.0 110.78 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.8 ttm -60.1 98.06 0.05 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.631 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 p -168.56 134.83 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.905 0.383 . . . . 0.0 110.961 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -120.25 32.72 4.79 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 175.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 92.9 m-85 66.87 -77.74 0.04 OUTLIER 'General case' 0 C--O 1.232 0.175 0 C-N-CA 123.407 0.683 . . . . 0.0 110.466 -174.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 13.2 pt-20 166.96 -38.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.177 0.991 . . . . 0.0 109.042 175.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -157.84 114.47 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.545 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.02 179.35 21.38 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.503 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 m -119.0 -54.87 2.21 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 59.25 19.32 7.42 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.699 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.16 105.44 17.66 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -93.38 118.81 31.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.349 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.19 3.57 0.75 Allowed Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.985 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.517 ' HE1' ' HE3' ' A' ' 31' ' ' LYS . 66.6 t80 -119.31 -22.24 7.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.765 0.317 . . . . 0.0 110.437 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 71.13 4.17 4.96 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.756 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.2 -42.44 3.15 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 121.194 -0.527 . . . . 0.0 113.077 175.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 m -72.2 117.89 14.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.789 0.328 . . . . 0.0 111.439 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -90.8 93.01 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -131.46 18.66 4.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.368 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.517 ' HE3' ' HE1' ' A' ' 25' ' ' PHE . 18.9 pttp -81.03 115.53 20.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.084 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 45.6 t0 -88.66 117.7 27.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 173.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.497 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 28.6 tpp -69.65 -23.38 63.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.366 0.603 . . . . 0.0 110.278 -177.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HB3' ' OD1' ' A' ' 32' ' ' ASP . 8.7 ttp180 -69.97 -30.96 68.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.863 174.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 16.5 tp -66.81 -53.48 32.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.2 175.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.41 -29.05 65.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.369 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -65.65 -47.79 74.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.352 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.14 -36.73 66.1 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.97 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.43 -53.26 20.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.446 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.491 HG13 HG11 ' A' ' 107' ' ' VAL . 86.4 t -60.64 -43.31 94.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 51' ' ' MET . 46.6 t -53.39 -46.32 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.939 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -91.67 -1.66 57.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 111.163 -174.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -88.37 -41.7 12.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.204 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.54 14.07 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 6.8 tt -57.82 -37.76 74.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.706 -174.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -73.66 -0.27 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.82 -19.13 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.079 0.466 . . . . 0.0 110.253 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 30.3 m -124.81 -167.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.631 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -80.86 -55.25 4.93 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.522 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -163.24 154.7 17.25 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.781 0.324 . . . . 0.0 111.184 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.542 ' HB2' HG13 ' A' ' 41' ' ' VAL . 88.5 mtp -134.96 142.05 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -154.49 138.26 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -178.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.17 138.33 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.828 0.347 . . . . 0.0 111.101 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.408 ' HB3' HD13 ' A' ' 57' ' ' LEU . 4.1 m -72.71 112.31 8.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.036 0.446 . . . . 0.0 110.31 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.55 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 1.7 tmtp? -86.55 -12.99 47.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 -174.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -89.98 3.34 53.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.074 0.464 . . . . 0.0 110.819 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.572 HD21 ' CG2' ' A' ' 95' ' ' VAL . 5.9 mp -120.7 -100.37 0.43 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.862 -175.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -166.65 158.16 12.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 0.0 110.974 -171.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 7.5 p -159.2 73.76 0.61 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.6 172.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.2 -54.18 5.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.93 -170.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.08 -76.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.499 -175.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.585 ' OD1' ' HB2' ' A' ' 82' ' ' GLU . 20.0 t70 -94.56 -15.78 23.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.863 0.363 . . . . 0.0 111.391 -176.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 12.0 p -105.36 128.81 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.175 0.512 . . . . 0.0 111.253 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.91 124.16 11.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.685 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.474 ' CG ' HD22 ' A' ' 57' ' ' LEU . 90.3 m-85 -93.15 129.92 38.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.882 0.372 . . . . 0.0 110.39 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 57.5 mt -119.45 129.83 74.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.961 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -88.34 129.15 35.47 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.128 173.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.523 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.6 p -128.41 119.97 51.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.282 0.563 . . . . 0.0 109.986 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 31.7 tt0 -102.92 111.47 23.82 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.558 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 p -70.7 178.85 2.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.566 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -65.01 -11.43 38.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.941 0.4 . . . . 0.0 110.675 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.75 -16.4 61.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.393 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? 70.69 16.41 6.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.459 -174.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -98.25 135.26 40.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 2.8 mpt_? -97.37 141.86 29.95 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -127.28 142.09 51.55 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 95.1 m -103.85 120.04 40.18 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.118 0.485 . . . . 0.0 110.637 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.1 mt -108.1 131.72 54.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.604 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 44.8 tt0 -93.78 97.82 10.68 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.549 HD13 ' HG ' ' A' ' 85' ' ' LEU . 55.4 tp -84.19 121.43 27.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.937 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 19.4 p -142.93 178.51 7.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.324 -178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.585 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . 35.8 tt0 -56.13 -33.0 64.76 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.371 176.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.61 -7.28 58.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.675 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.79 -160.9 15.06 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.533 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.549 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.4 mp -101.41 127.54 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.695 0.283 . . . . 0.0 110.672 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 31.0 ttmt -116.99 146.78 42.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.16 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.528 ' HB ' HG21 ' A' ' 101' ' ' THR . 56.6 t -90.74 115.14 29.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.541 ' HB ' HG13 ' A' ' 95' ' ' VAL . 21.5 m -117.35 8.79 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -175.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.11 160.66 14.7 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.512 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -125.53 62.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.47 0.653 . . . . 0.0 111.596 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -159.2 -169.37 2.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.998 172.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -96.49 107.15 19.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 66.73 44.5 2.15 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.725 0.641 . . . . 0.0 110.865 -176.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.594 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 24.3 tt0 -129.26 133.76 47.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.881 178.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.572 ' CG2' HD21 ' A' ' 57' ' ' LEU . 94.8 t -124.92 102.79 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.226 0.536 . . . . 0.0 110.682 -177.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.548 ' HB2' HD13 ' A' ' 99' ' ' LEU . 15.0 m-20 -82.41 158.83 23.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.041 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -101.99 -31.87 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -171.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -82.02 -3.6 54.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -170.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 96' ' ' ASP . 8.1 mp -78.39 101.94 7.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.164 0.507 . . . . 0.0 110.515 176.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -104.4 87.34 2.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.556 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.528 HG21 ' HB ' ' A' ' 87' ' ' VAL . 3.9 t -127.09 141.23 40.08 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.57 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.74 169.26 19.29 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.509 2.14 . . . . 0.0 111.806 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.44 152.5 19.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -112.03 141.45 45.69 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -62.82 -61.76 2.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.42 0.45 . . . . 0.0 111.686 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.4 p -100.36 141.45 33.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.011 0.434 . . . . 0.0 111.539 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.491 HG11 HG13 ' A' ' 40' ' ' VAL . 11.2 p -63.45 -25.31 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.502 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -62.49 -54.58 37.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.074 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.2 m -61.74 -38.41 87.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.463 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 51.0 tp -63.76 -56.55 14.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.694 -177.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.461 HD21 HG13 ' A' ' 48' ' ' VAL . 36.0 tp -68.74 -25.43 64.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 111.209 -174.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -81.59 -30.64 32.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.508 1.147 . . . . 0.0 108.154 -175.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 5.1 m -66.07 -28.47 68.86 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 113.191 -1.822 . . . . 0.0 110.468 170.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 87.4 mt -85.76 -63.09 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.669 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.7 p -113.32 109.6 51.37 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.361 -175.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.15 -15.1 37.51 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 123.037 2.491 . . . . 0.0 112.138 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.0 -12.24 47.99 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.76 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -55.65 -49.22 73.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.621 176.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -63.4 -40.8 98.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.231 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -69.09 -40.31 78.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.962 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.75 -46.98 56.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -63.28 -37.72 88.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.698 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.84 -47.76 88.15 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.965 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.503 ' O ' ' HB3' ' A' ' 127' ' ' LEU . 4.7 m-20 -68.47 -24.99 64.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -176.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.28 -46.54 32.92 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -74.29 -11.39 60.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.466 0.65 . . . . 0.0 109.707 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 124' ' ' ASN . 2.4 tm? -69.26 -50.96 42.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.829 175.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -17.93 56.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.037 0.446 . . . . 0.0 110.824 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -70.28 -24.82 63.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.416 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.627 ' HG ' ' HE2' ' A' ' 134' ' ' LYS . 56.2 tp -64.13 -37.94 89.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.208 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -69.43 -28.25 65.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.982 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.37 99.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.94 -20.35 52.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.385 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.627 ' HE2' ' HG ' ' A' ' 130' ' ' LEU . 68.5 mttm -77.84 -51.18 10.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.414 0.626 . . . . 0.0 110.293 176.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -69.93 -39.91 75.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.503 -176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -92.94 13.03 21.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.178 0.513 . . . . 0.0 110.758 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -93.39 44.54 2.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.133 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -92.86 126.56 38.0 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.442 -0.79 . . . . 0.0 110.064 -179.834 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.83 -41.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.095 -174.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.8 m 65.11 92.92 0.07 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.966 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -112.88 -178.15 3.31 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.4 t -121.05 -16.23 8.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.911 0.386 . . . . 0.0 110.512 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.466 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 28.6 t-20 -139.26 117.84 8.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.386 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 6' ' ' ASN . 7.2 Cg_endo -87.62 30.28 0.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 123.425 2.75 . . . . 0.0 113.913 -172.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -151.07 177.7 9.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.988 0.423 . . . . 0.0 111.069 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -132.72 160.01 38.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.502 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.471 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 1.5 pp -71.35 26.49 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 -175.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.3 m -73.88 97.28 2.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.952 0.406 . . . . 0.0 110.639 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.0 m 64.6 -88.85 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.257 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 57.3 ttp -169.81 -70.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.071 0.462 . . . . 0.0 110.483 -178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.3 p -125.84 170.73 11.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.62 -14.29 57.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.307 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -138.31 31.86 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.651 0.738 . . . . 0.0 109.536 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -102.84 -6.08 22.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.416 -177.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 62.42 91.2 0.07 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.762 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.32 165.8 34.39 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.538 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -102.7 9.34 39.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.398 0.618 . . . . 0.0 110.183 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -79.06 41.95 0.46 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.827 -177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.1 mt -99.09 -31.97 11.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.95 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -115.73 119.01 34.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.964 0.411 . . . . 0.0 110.928 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.07 27.39 2.9 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 175.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -156.44 115.81 3.49 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -94.42 145.36 24.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.066 0.46 . . . . 0.0 111.202 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.51 90.2 0.13 Allowed Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -77.86 130.55 36.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.534 0.683 . . . . 0.0 111.109 -177.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -137.31 62.74 1.58 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.77 0.795 . . . . 0.0 109.034 175.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.3 tpt -96.69 124.55 40.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.366 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -66.63 146.98 53.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.965 0.412 . . . . 0.0 110.43 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.583 ' OD1' ' HB2' ' A' ' 34' ' ' ARG . 14.6 t70 -102.52 110.19 22.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.627 -178.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.0 tpp -66.79 -19.83 65.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.775 -173.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.583 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 48.6 mtt180 -60.64 -35.94 77.43 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.658 0.266 . . . . 0.0 111.046 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.25 -53.81 22.04 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.436 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -61.91 -24.03 66.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.096 176.008 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -72.81 -49.86 27.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.254 177.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.56 -40.89 93.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.183 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.5 -46.47 76.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.971 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 36' ' ' GLU . 68.3 t -65.08 -46.76 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.536 HG13 ' HB2' ' A' ' 51' ' ' MET . 78.8 t -54.66 -42.78 62.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.622 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -80.4 -33.67 36.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.343 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.94 -54.48 29.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.743 -173.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.54 17.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.897 0.379 . . . . 0.0 111.356 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 50.0 tp -55.88 -40.47 73.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.843 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.458 ' CD2' ' HB1' ' A' ' 121' ' ' ALA . 51.7 p90 -77.07 -3.42 39.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.756 -174.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.06 -19.73 29.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.025 0.44 . . . . 0.0 110.306 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.65 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.3 m -126.98 -168.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.222 -176.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.99 -56.99 3.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.106 0.479 . . . . 0.0 110.387 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -155.64 144.35 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.713 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.536 ' HB2' HG13 ' A' ' 41' ' ' VAL . 85.1 mtp -127.18 147.43 50.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.415 175.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -149.04 177.55 9.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -176.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -114.54 131.56 66.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.482 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 17.2 m -69.99 107.04 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.533 0.683 . . . . 0.0 111.012 -175.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -98.82 16.35 22.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.582 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -102.85 1.0 33.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.418 HD13 ' HB3' ' A' ' 54' ' ' SER . 4.8 mp -130.53 -148.38 0.36 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.793 -178.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -116.99 136.82 52.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.962 0.411 . . . . 0.0 110.665 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 64' ' ' ALA . 3.5 p -155.8 117.15 3.92 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.96 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.92 -60.5 0.16 Allowed 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.689 0.757 . . . . 0.0 111.712 -177.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -121.69 -67.3 0.97 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.392 -162.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -98.54 -19.68 17.48 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.871 0.367 . . . . 0.0 111.058 -173.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.3 p -139.0 140.2 38.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.121 -174.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.553 ' HA ' ' HB3' ' A' ' 59' ' ' CYS . . . -142.91 120.05 11.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.891 172.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.482 ' HB2' ' HB2' ' A' ' 54' ' ' SER . 96.8 m-85 -86.53 126.89 34.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.08 132.14 69.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.205 0.526 . . . . 0.0 110.846 -176.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -87.98 125.67 34.66 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.173 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.504 HG13 ' HB2' ' A' ' 76' ' ' TYR . 4.9 p -131.63 115.18 27.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.361 0.601 . . . . 0.0 110.926 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.65 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 34.9 tt0 -101.58 106.27 17.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.654 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.496 ' HA ' HG12 ' A' ' 48' ' ' VAL . 72.4 p -69.7 176.87 3.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.386 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -74.54 3.75 7.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.086 0.47 . . . . 0.0 111.129 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -89.73 -6.19 56.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER 72.35 13.19 5.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.656 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.413 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 58.7 t30 -92.64 131.91 37.34 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.413 ' NH1' ' HA ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -97.55 122.41 40.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.295 -173.638 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.504 ' HB2' HG13 ' A' ' 68' ' ' VAL . 85.2 m-85 -107.72 150.24 27.18 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.905 0.383 . . . . 0.0 110.604 176.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.4 m -108.66 115.42 30.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.654 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 86.6 mt -102.34 131.01 49.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.925 0.393 . . . . 0.0 111.154 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -93.73 99.21 11.65 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.7 tp -89.02 115.96 26.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.182 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.9 p -132.54 -170.43 2.43 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.004 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.427 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 6.6 pt-20 -78.92 -2.85 41.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.267 0.556 . . . . 0.0 110.47 174.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.24 -6.73 40.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.152 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.14 -156.8 15.42 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.413 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.37 135.21 47.16 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.701 ' HD2' ' HE1' ' A' ' 103' ' ' TYR . 39.6 tttt -140.38 115.91 10.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.094 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.14 118.83 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.323 0.583 . . . . 0.0 110.649 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.586 HG12 ' HE2' ' A' ' 86' ' ' LYS . 17.9 m -113.71 7.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.628 -175.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -174.58 156.13 22.43 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.858 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -124.28 40.37 3.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.91 0.862 . . . . 0.0 110.13 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -139.96 -175.58 4.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.468 172.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -95.9 110.89 23.01 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.41 54.83 1.46 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.747 0.655 . . . . 0.0 110.61 -176.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.573 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 24.4 tt0 -142.99 103.47 4.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.231 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.537 HG13 ' HB ' ' A' ' 88' ' ' VAL . 77.8 t -99.61 117.95 45.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.824 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 30.5 t70 -112.33 144.53 41.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.21 -172.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -70.16 -21.01 63.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.189 -177.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -83.7 -8.18 59.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.129 -0.357 . . . . 0.0 111.136 -173.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.499 ' CD1' ' HB3' ' A' ' 96' ' ' ASP . 4.6 mp -95.17 90.7 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.353 0.597 . . . . 0.0 111.662 177.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -112.85 75.86 0.94 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.928 0.871 . . . . 0.0 109.097 171.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.7 p -89.72 160.69 40.83 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 114.543 -1.208 . . . . 0.0 112.469 -171.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.38 124.28 13.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.703 2.268 . . . . 0.0 112.263 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.701 ' HE1' ' HD2' ' A' ' 86' ' ' LYS . 5.2 m-85 -72.23 130.31 40.5 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.848 -178.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.44 144.57 44.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -74.62 -44.44 50.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.122 0.487 . . . . 0.0 111.513 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.1 p -107.04 138.71 42.69 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.336 -174.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.69 -26.06 38.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.144 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -59.8 -58.03 10.31 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.319 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.2 m -74.32 -3.9 33.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.568 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 113' ' ' THR . 47.0 tp -95.96 -53.65 3.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.919 0.39 . . . . 0.0 110.786 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.452 HD21 HG13 ' A' ' 48' ' ' VAL . 38.2 tp -69.99 -21.02 63.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.983 -175.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.46 -23.83 50.37 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.498 1.142 . . . . 0.0 108.277 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 1.3 m -79.82 -27.78 40.21 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 113.294 -1.775 . . . . 0.0 110.654 173.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.9 mt -83.79 -53.24 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 -176.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.2 t -122.77 116.78 28.96 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 120.765 0.317 . . . . 0.0 110.577 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.21 -21.49 60.12 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 123.139 2.559 . . . . 0.0 112.395 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.86 -11.01 60.06 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.957 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -57.7 -42.07 82.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.559 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -65.07 -32.34 74.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.162 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.62 -43.88 79.35 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.458 ' HB1' ' CD2' ' A' ' 46' ' ' PHE . . . -64.18 -36.45 84.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.525 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -62.89 -48.27 79.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.34 177.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.35 -34.13 89.12 Favored Glycine 0 C--O 1.226 -0.364 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.052 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' A' ' 127' ' ' LEU . 23.2 t-20 -61.39 -37.78 84.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.031 0.443 . . . . 0.0 110.854 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.45 -43.03 51.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.42 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -65.27 -27.24 68.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.49 0.662 . . . . 0.0 109.851 175.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.444 ' HB3' ' O ' ' A' ' 124' ' ' ASN . 3.0 tm? -66.36 -52.47 46.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.504 173.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -38.79 80.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.259 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -66.45 -20.42 66.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.049 -177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.8 tp -66.37 -53.01 40.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.158 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -79.34 -20.09 48.68 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.961 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.47 80.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.155 0.502 . . . . 0.0 109.932 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.44 -22.12 63.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.419 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -86.05 -17.39 35.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.425 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 135' ' ' ARG . 1.1 mpt_? -96.44 -57.93 2.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.582 -174.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.74 106.1 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.304 -172.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 116.81 -50.55 0.78 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.367 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -75.26 -36.19 61.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.693 0.282 . . . . 0.0 110.853 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.013 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.02 116.34 16.97 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.362 0.601 . . . . 0.0 111.141 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 t -140.88 15.4 2.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.181 175.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 60.86 64.72 1.11 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.005 -177.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 81.2 m 65.4 -83.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.049 -176.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 4.2 p-10 -167.13 120.8 0.8 Allowed Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 6' ' ' ASN . 7.7 Cg_exo -73.59 -87.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.67 2.247 . . . . 0.0 112.041 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 mmm 176.86 122.79 0.03 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.255 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 27.0 mp0 -67.52 114.18 5.96 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 173.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' GLU . 59.0 tp 69.28 96.15 0.07 Allowed 'General case' 0 N--CA 1.463 0.221 0 O-C-N 124.042 0.839 . . . . 0.0 110.144 -172.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.8 m -72.59 88.87 1.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.293 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 p -93.43 168.14 11.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.724 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.1 mmt -78.33 146.59 34.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.438 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.8 p -94.82 -1.69 52.3 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.21 48.38 1.58 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.323 -0.941 . . . . 0.0 113.191 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -69.67 -41.79 75.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.09 0.472 . . . . 0.0 110.327 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -98.87 19.49 14.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -65.62 -44.16 87.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.035 0.445 . . . . 0.0 110.01 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.97 135.7 3.42 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.854 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -92.77 -59.56 2.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.761 0.315 . . . . 0.0 110.633 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -134.74 140.7 46.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.1 tp -99.66 83.84 2.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.064 0.459 . . . . 0.0 109.776 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -138.47 115.43 10.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.504 -176.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.31 112.84 4.04 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 174.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -62.96 -42.12 99.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.786 0.327 . . . . 0.0 110.619 -173.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -101.56 14.08 33.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.469 0.652 . . . . 0.0 109.661 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.82 -58.21 0.52 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.79 -177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 m -148.85 87.59 1.56 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.421 0.629 . . . . 0.0 109.606 176.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.64 -11.13 59.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.945 -173.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -139.97 122.73 16.43 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -119.11 158.43 25.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.961 0.41 . . . . 0.0 110.774 -169.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 11.5 t0 -84.44 98.47 10.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.185 -178.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -15.15 60.43 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.505 -175.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -60.36 -43.4 96.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.832 0.349 . . . . 0.0 110.227 179.592 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 4.9 mt -77.85 -38.86 45.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.511 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 5.9 mm-40 -57.59 -29.28 64.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -73.92 -49.99 22.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.249 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 36.4 mt-10 -62.25 -33.95 75.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.972 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.99 73.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.758 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.04 -47.56 93.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 95.5 t -57.61 -49.51 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.603 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -78.63 -10.29 59.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -172.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -81.46 -44.88 16.82 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.245 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.1 m -112.63 15.11 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.563 -176.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.5 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 6.1 tt -58.21 -34.61 70.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.397 -176.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -75.62 -12.23 60.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.736 0.303 . . . . 0.0 111.452 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.445 ' HA ' ' CB ' ' A' ' 121' ' ' ALA . . . -82.49 -15.81 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.056 0.455 . . . . 0.0 110.782 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.584 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 23.4 m -117.64 -168.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.014 177.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -88.87 -51.05 5.84 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.371 0.605 . . . . 0.0 109.52 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -141.68 155.23 45.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.036 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.432 ' HB3' ' HG ' ' A' ' 45' ' ' LEU . 18.3 ttt -163.87 129.41 2.99 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -161.19 161.08 30.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.744 0.306 . . . . 0.0 110.664 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.5 p -68.49 134.92 29.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 172.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.512 ' CB ' HD23 ' A' ' 57' ' ' LEU . 4.4 m -55.19 -55.44 31.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.66 -174.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 70.62 10.12 7.04 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.681 0.753 . . . . 0.0 110.493 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -118.81 17.39 13.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.934 0.873 . . . . 0.0 109.571 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.608 ' HG ' ' CB ' ' A' ' 65' ' ' TYR . 4.4 mm? -118.64 -148.51 0.42 Allowed 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.547 -177.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.496 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -130.73 96.03 3.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.537 0.684 . . . . 0.0 109.882 175.245 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.4 p -88.27 90.51 8.42 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.134 175.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.37 -76.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.2 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' HA ' ' NH1' ' A' ' 34' ' ' ARG . 17.9 m-20 -155.41 -57.8 0.1 Allowed 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -176.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -105.03 20.51 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.554 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.6 p -143.18 137.85 26.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.342 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.37 132.16 13.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.946 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.608 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 92.5 m-85 -92.64 133.55 35.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.163 0.506 . . . . 0.0 110.915 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 72.9 mt -125.82 136.63 60.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.106 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 92' ' ' PHE . 7.8 m120 -108.82 130.66 55.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.28 0.562 . . . . 0.0 110.801 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.48 138.41 51.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.549 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.584 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 35.2 tt0 -117.1 108.61 15.93 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.364 177.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.0 p -67.47 167.73 12.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.589 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 68.7 mttm -70.05 -4.73 22.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.412 0.625 . . . . 0.0 110.455 177.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 42.6 tt0 -91.22 3.06 55.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.405 177.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 72' ' ' GLU . 80.1 mtt180 70.99 -1.55 2.64 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.459 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -84.12 129.61 34.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -105.26 148.51 26.91 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.892 -172.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 72.1 m-85 -130.64 150.47 51.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.33 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 34.6 t -114.19 117.23 30.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.501 HD22 HD21 ' A' ' 110' ' ' LEU . 80.6 mt -116.14 131.23 57.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 0.0 111.644 -172.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 36.2 tt0 -94.27 111.73 23.49 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.467 175.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -88.18 119.72 28.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.5 p -139.58 178.89 6.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.364 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.93 -36.67 84.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 109.831 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.11 -22.63 65.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.828 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.38 -149.75 20.05 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.872 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.75 122.58 48.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.822 0.344 . . . . 0.0 110.199 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 80.5 tttt -111.68 126.43 55.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.678 -175.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.85 106.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.8 m -101.93 0.57 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.151 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 163.21 -178.07 38.98 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.001 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -131.18 40.77 3.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.509 0.671 . . . . 0.0 110.808 -179.763 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -152.36 170.3 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.403 175.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.457 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 24.0 m-85 -68.73 146.57 52.83 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 49.66 24.88 1.3 Allowed 'General case' 0 N--CA 1.474 0.767 0 O-C-N 124.05 0.844 . . . . 0.0 112.649 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -103.65 112.12 24.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.055 0.455 . . . . 0.0 110.686 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.3 t -127.3 102.43 9.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.437 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.677 ' OD2' ' HB2' ' A' ' 98' ' ' HIS . 38.7 t70 -123.79 122.06 37.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -177.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.75 16.8 8.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.493 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.677 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 63.2 m80 -78.89 -28.24 44.05 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 169.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.5 mp -69.76 118.38 12.55 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.232 169.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -90.88 29.06 1.41 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.342 0.592 . . . . 0.0 109.903 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.501 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.6 OUTLIER -71.36 117.5 57.52 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.791 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 7.2 Cg_exo -72.79 160.32 46.46 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.786 2.324 . . . . 0.0 112.029 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.407 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -81.49 144.89 31.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.259 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -99.43 157.99 16.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.78 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.21 -67.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 123.647 0.592 . . . . 0.0 111.59 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.2 p -112.73 167.47 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -70.92 -23.87 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.097 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -69.62 -51.94 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.148 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.5 m -69.41 -9.1 52.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.151 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.501 HD21 HD22 ' A' ' 78' ' ' LEU . 62.2 tp -95.71 -57.32 2.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.201 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 118' ' ' TYR . 17.0 tp -62.5 -22.64 66.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 0.0 110.075 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -54.45 -41.26 69.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.244 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 110' ' ' LEU . 12.1 t -94.91 -5.06 45.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.846 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 86.8 mt -90.78 -36.79 14.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.336 . . . . 0.0 111.472 -176.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.7 t -148.7 128.37 6.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.905 0.383 . . . . 0.0 111.043 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.34 -18.57 44.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 111.495 175.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -71.81 -21.84 61.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.821 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.439 ' CD1' HD23 ' A' ' 111' ' ' LEU . 48.0 t80 -61.7 -38.82 89.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.394 0.616 . . . . 0.0 109.805 175.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -68.45 -24.52 64.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.424 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -76.55 -55.81 5.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.135 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' A' ' 47' ' ' ALA . . . -62.04 -35.74 79.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.429 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -61.6 -49.55 76.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.401 . . . . 0.0 110.377 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -66.2 -29.51 75.07 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.181 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.471 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 48.0 t30 -63.65 -40.25 96.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.767 0.318 . . . . 0.0 110.468 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 129' ' ' ARG . . . -61.07 -36.31 79.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.98 -48.98 74.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.311 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 124' ' ' ASN . 4.6 pp -71.03 -25.91 62.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 111.179 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -69.79 -48.28 59.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.677 177.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 38.8 mtm180 -69.89 -15.86 63.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.976 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.03 -28.23 69.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.706 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.47 -17.83 61.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.322 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.11 66.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.214 0.531 . . . . 0.0 110.263 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.99 -12.31 53.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.495 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -94.0 -40.43 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.467 0.651 . . . . 0.0 109.956 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -91.09 16.81 8.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.877 -177.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -63.13 -33.53 75.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.274 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -103.03 -77.63 1.23 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -152.63 155.36 37.17 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.732 -0.651 . . . . 0.0 109.731 -178.002 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 61.64 88.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.806 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.3 m -147.47 148.07 30.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.495 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -83.14 -34.37 26.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -173.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 p -81.55 99.0 8.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.177 0.513 . . . . 0.0 110.841 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -119.55 110.88 36.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.871 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.45 124.16 12.48 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.73 2.287 . . . . 0.0 111.163 175.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.0 mtt -95.6 131.14 42.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.062 0.458 . . . . 0.0 111.104 -175.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -105.9 119.3 38.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.989 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.81 ' HB2' ' HB3' ' A' ' 13' ' ' MET . 2.6 pp -141.04 144.27 34.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p -104.06 -74.51 0.64 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 177.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.5 m -90.1 3.61 52.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.276 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.81 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 28.1 ttt -81.86 79.99 8.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.341 0.591 . . . . 0.0 110.494 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.4 t -83.09 -26.06 31.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.325 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.7 -166.28 38.9 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.522 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -176.87 -30.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.092 0.473 . . . . 0.0 109.746 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -86.03 29.63 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.887 176.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.17 -31.22 71.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.145 -173.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.72 -164.61 21.06 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.237 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.9 m -95.27 13.53 25.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.789 0.328 . . . . 0.0 111.053 -177.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -57.65 -35.02 69.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.697 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.01 101.02 12.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.388 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -133.81 -40.27 0.86 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.47 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.02 83.57 0.76 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.104 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.502 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 28.3 t80 -158.87 -65.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.626 0.251 . . . . 0.0 110.608 -177.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 75.6 mt-10 -115.1 -56.9 2.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.726 0.298 . . . . 0.0 110.59 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.93 59.22 3.88 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.14 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.25 21.17 2.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.54 0.686 . . . . 0.0 109.502 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -82.15 116.89 21.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.669 -171.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.2 tpp -103.51 -19.76 14.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.159 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -90.32 106.57 18.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.358 0.599 . . . . 0.0 112.54 -169.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 4.5 m-20 -93.61 89.81 6.39 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 167.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.465 ' SD ' ' HA ' ' A' ' 81' ' ' THR . 6.5 ttm -71.26 -20.08 62.27 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.887 -177.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -58.41 -35.1 71.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.687 169.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER -78.37 -46.52 19.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.612 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 40' ' ' VAL . 42.9 mt-10 -57.84 -30.28 65.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.956 177.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -72.84 -48.98 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.487 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.67 -39.7 77.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.93 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.84 77.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.103 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 36' ' ' GLU . 78.0 t -62.97 -39.35 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.218 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.577 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 53.9 t -56.06 -33.49 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.341 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -88.35 -24.18 23.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.422 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -80.92 -55.93 4.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.566 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.9 m -88.97 4.99 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.709 0.29 . . . . 0.0 111.682 -173.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 61.7 tp -61.21 -26.66 67.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.066 0.46 . . . . 0.0 110.74 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -72.25 -14.22 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.716 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.31 -10.33 21.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.81 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.587 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 35.4 m -123.14 -170.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.671 0.272 . . . . 0.0 111.212 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -90.68 -56.53 3.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.159 0.504 . . . . 0.0 109.708 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -137.68 158.95 43.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.465 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.9 ttt -168.03 134.91 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -160.76 154.98 23.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.2 142.19 16.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.711 ' HB3' HD23 ' A' ' 57' ' ' LEU . 11.0 m -70.14 164.33 24.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 111.319 -175.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -122.15 -24.72 5.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.174 -171.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.541 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 50.8 m -111.1 25.24 11.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.716 0.77 . . . . 0.0 110.292 -172.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' A' ' 54' ' ' SER . 3.9 mm? -113.78 -147.19 0.41 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.718 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -133.18 131.95 41.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.218 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 78.4 m -130.04 46.28 2.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.746 0.784 . . . . 0.0 109.748 -176.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.78 82.32 7.88 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.833 -173.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 66.7 -72.99 0.08 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.082 0.864 . . . . 0.0 112.553 171.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.98 -19.54 54.3 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.385 0.674 . . . . 0.0 111.809 -173.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 13.3 p -129.81 144.67 37.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.668 -176.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.43 119.98 4.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.938 0.399 . . . . 0.0 110.733 171.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.671 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 74.5 m-85 -86.74 138.92 31.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.418 177.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.87 135.84 62.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.584 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 95.8 m-20 -97.33 108.02 20.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 p -113.77 138.52 43.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.091 0.472 . . . . 0.0 110.608 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.517 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.1 tt0 -120.9 101.02 7.42 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.73 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 77.1 p -65.27 164.0 14.26 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.571 -176.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.587 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 89.8 mttt -66.18 -23.44 66.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.941 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -74.82 4.17 6.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.892 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 67.18 21.55 9.99 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.463 0.649 . . . . 0.0 111.328 172.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -102.51 128.09 49.28 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 169.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HG2' ' HG3' ' A' ' 69' ' ' GLU . 29.2 mtm180 -96.24 146.1 25.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 97.6 m-85 -139.04 142.9 38.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.047 0.451 . . . . 0.0 110.664 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 23.5 t -105.56 109.09 20.93 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 172.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 74.5 mt -98.59 135.86 39.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.196 -173.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -94.13 100.36 12.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.4 tp -78.62 117.22 19.57 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.779 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.465 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 13.0 p -136.69 167.63 21.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.297 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -66.5 -20.33 66.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.958 0.409 . . . . 0.0 110.619 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.45 1.82 47.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.613 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.73 -171.25 15.07 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.764 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 85' ' ' LEU . 5.3 mp -107.42 123.45 48.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' A' ' 103' ' ' TYR . 22.4 mttp -113.59 149.36 34.63 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.64 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.2 t -88.87 104.07 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.796 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.74 -5.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.019 0.438 . . . . 0.0 110.905 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.12 165.04 35.75 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.636 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 4.6 p90 -128.16 27.65 5.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.669 0.747 . . . . 0.0 109.788 177.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.96 162.74 39.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.797 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.63 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 22.3 m-85 -68.42 119.2 12.53 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.247 -0.181 . . . . 0.0 110.672 -177.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.569 ' HA ' HD21 ' A' ' 57' ' ' LEU . 36.5 m-20 67.28 24.98 8.93 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.478 0.486 . . . . 0.0 111.867 174.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -122.46 107.08 11.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.57 0.224 . . . . 0.0 111.403 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.6 t -82.51 125.05 39.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 170.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.76 136.83 38.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.114 0.483 . . . . 0.0 111.391 -173.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -82.27 -13.44 57.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.761 -176.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -88.46 -22.39 23.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.044 0.449 . . . . 0.0 109.894 -176.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.423 HD11 ' HD2' ' A' ' 90' ' ' TYR . 35.6 mt -71.21 117.82 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.994 0.902 . . . . 0.0 112.095 -176.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -116.76 25.92 10.21 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.0 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.88 152.31 91.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 114.099 -1.409 . . . . 0.0 112.303 -175.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.55 -162.77 0.19 Allowed 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.879 2.386 . . . . 0.0 112.347 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.569 ' HB3' ' HG2' ' A' ' 86' ' ' LYS . 6.3 p90 -142.86 166.65 24.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.853 -177.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -120.21 161.64 20.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.343 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.556 ' CD ' ' H ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -82.99 -39.26 21.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.283 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.456 HG23 ' HG2' ' A' ' 105' ' ' GLU . 70.8 p -123.52 159.16 29.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.963 0.411 . . . . 0.0 110.843 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.09 -29.85 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -70.12 -47.75 60.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.2 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.6 t -67.59 -27.0 66.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.073 0.463 . . . . 0.0 110.176 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.9 tp -75.97 -52.34 10.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.495 ' HA ' HD12 ' A' ' 114' ' ' LEU . 14.9 tp -60.64 -29.27 69.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.141 0.496 . . . . 0.0 110.72 -176.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.61 -37.82 88.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.786 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.5 p -77.82 -9.97 59.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.003 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 70' ' ' THR . 36.4 mt -102.4 -29.94 11.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.186 -174.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.73 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 73.7 m -151.36 118.01 3.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.815 177.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.39 -18.06 59.26 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.809 2.339 . . . . 0.0 111.75 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.35 -13.6 62.4 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.688 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -56.2 -39.67 72.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.144 172.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 36.4 mtp85 -65.03 -37.75 88.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.886 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -77.18 -36.26 55.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.772 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -58.1 -61.33 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.979 0.418 . . . . 0.0 111.233 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -73.26 -24.8 60.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.84 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -65.48 -39.24 95.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.932 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -63.35 -45.87 89.21 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.873 0.368 . . . . 0.0 110.315 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.8 92.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.163 0.506 . . . . 0.0 110.291 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.8 tp -64.79 -44.83 88.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.182 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 128' ' ' GLN . 4.6 pp -72.54 -32.74 66.32 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.933 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.474 ' N ' HD12 ' A' ' 127' ' ' LEU . 25.9 tt0 -70.17 -38.41 75.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.215 0.531 . . . . 0.0 109.883 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -71.28 -23.74 62.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.356 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 49.2 tp -76.82 -31.76 57.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.979 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.93 -15.35 62.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.067 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.52 -21.84 66.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.847 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.5 mp -82.33 -10.69 58.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.06 0.457 . . . . 0.0 110.317 178.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -98.65 -35.86 10.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.032 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.37 7.91 33.38 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -80.2 -21.31 43.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.804 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 80.88 16.46 75.0 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.936 -0.575 . . . . 0.0 113.071 174.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -64.58 108.13 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.299 0.571 . . . . 0.0 111.024 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.164 -178.747 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 121.241 0.544 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -98.73 155.74 17.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.459 -176.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.0 t -87.67 132.16 34.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.22 0.533 . . . . 0.0 111.05 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -155.14 10.82 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.788 0.804 . . . . 0.0 109.04 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.1 p -106.16 93.0 4.38 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.823 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.438 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 24.6 t-20 -90.48 132.9 34.02 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.342 -177.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 6' ' ' ASN . 16.1 Cg_exo -69.21 53.26 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.377 2.718 . . . . 0.0 112.734 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 ttt -102.71 -21.31 14.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -77.93 131.16 37.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.653 175.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -122.83 115.54 22.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.717 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 t 68.94 97.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.751 176.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 p -108.24 24.57 12.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.56 173.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.5 ttm 67.74 -82.6 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.733 -177.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.7 m -159.43 -52.36 0.06 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.36 174.29 42.52 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.251 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -116.31 28.15 8.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.296 0.569 . . . . 0.0 109.803 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 45.8 mt-10 -74.21 134.02 42.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.698 -177.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 61.7 mm-40 74.2 8.86 4.6 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.053 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.93 42.32 2.12 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -84.6 133.13 34.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.939 0.4 . . . . 0.0 111.807 -175.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -121.92 128.41 51.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.345 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.4 mt -121.66 114.27 20.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.976 0.417 . . . . 0.0 111.125 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -102.83 120.93 41.46 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.98 -69.53 1.19 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.913 -174.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -136.1 -175.53 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.986 0.422 . . . . 0.0 110.725 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -79.32 83.19 5.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.785 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.41 -69.01 2.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.096 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 t -103.51 151.81 22.42 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -81.96 -11.14 59.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.917 0.389 . . . . 0.0 110.586 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 46.2 ttm -71.48 120.32 16.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.609 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -116.91 140.23 49.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.993 0.425 . . . . 0.0 109.953 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -103.87 140.56 37.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 31.0 tpp -77.67 -31.38 52.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.545 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 55.3 ttt-85 -70.52 -33.22 70.94 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.7 tp -55.8 -57.48 11.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.745 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.3 mm-40 -58.57 -35.39 72.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.938 177.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.56 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -63.47 -53.62 49.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.213 -177.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.78 -37.13 73.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.492 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.3 -50.06 69.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.76 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 44' ' ' VAL . 57.7 t -60.08 -45.23 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.586 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.558 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 88.7 t -58.97 -33.4 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 111.266 -178.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -85.28 -24.23 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.019 0.438 . . . . 0.0 110.705 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -79.47 -57.98 3.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.503 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.8 m -85.68 4.05 3.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.587 -173.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.4 tp -56.75 -37.82 71.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.037 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -69.37 -24.59 63.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.84 -9.26 49.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.051 0.453 . . . . 0.0 111.345 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.6 m -117.32 -167.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.862 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -100.58 -49.1 4.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.466 ' HB2' ' HB3' ' A' ' 69' ' ' GLU . 0.7 OUTLIER -139.11 161.01 38.44 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 177.545 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.558 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 12.0 ttt -170.12 129.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.607 ' HE2' ' HE3' ' A' ' 55' ' ' LYS . 59.3 t80 -159.43 143.91 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.562 HG12 HG12 ' A' ' 66' ' ' ILE . 27.7 m -69.45 157.99 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.071 0.462 . . . . 0.0 111.304 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.485 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 6.8 m -79.5 164.06 24.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.373 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.607 ' HE3' ' HE2' ' A' ' 52' ' ' PHE . 98.9 mttt -128.49 -17.74 4.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.44 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -95.07 -5.58 44.0 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 65' ' ' TYR . 64.3 mt -106.02 -144.24 0.38 Allowed 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 113.883 -1.508 . . . . 0.0 109.31 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' H ' ' HD2' ' A' ' 65' ' ' TYR . 21.7 ptt-85 -153.16 158.53 41.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.326 0.584 . . . . 0.0 111.304 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 1.4 p -154.43 85.43 1.13 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.148 178.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -143.11 102.34 3.98 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.621 -176.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 76.93 -66.66 0.24 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.615 168.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.01 -28.02 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -171.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 11.4 p -136.3 149.49 27.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.83 0.348 . . . . 0.0 111.14 -172.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . . . -140.96 109.2 5.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.224 173.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.603 ' HB3' HD13 ' A' ' 57' ' ' LEU . 57.6 m-85 -86.68 119.53 27.01 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.496 177.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.562 HG12 HG12 ' A' ' 53' ' ' VAL . 46.5 mt -128.06 141.12 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -175.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 77.8 m-20 -100.44 119.09 37.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.407 HG23 ' HG3' ' A' ' 51' ' ' MET . 9.8 p -117.96 134.76 60.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.361 0.601 . . . . 0.0 111.625 -178.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 43.3 tt0 -116.49 98.63 6.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.306 176.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.54 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 42.6 p -63.63 174.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.551 -177.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.4 -8.52 54.31 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.324 0.583 . . . . 0.0 110.182 176.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -81.24 -8.55 59.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.145 172.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 64.79 11.53 6.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.405 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -87.14 123.58 32.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.526 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 83.6 mtm180 -98.94 128.86 45.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.726 -170.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -127.67 145.38 50.91 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.536 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.1 p -103.53 127.48 50.93 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.0 mt -111.79 136.13 51.46 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.398 -173.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -95.25 95.92 8.83 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.772 -1.103 . . . . 0.0 108.832 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 65.9 tp -79.35 116.41 19.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.165 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 p -126.22 171.6 10.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.573 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -9.73 58.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.735 0.302 . . . . 0.0 111.384 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.38 -21.98 25.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.886 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.94 -173.25 27.19 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.878 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.08 127.47 47.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.149 0.5 . . . . 0.0 110.805 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HB2' ' CD1' ' A' ' 103' ' ' TYR . 28.3 tttm -126.19 138.61 53.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.209 -177.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.02 139.71 17.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' A' ' 95' ' ' VAL . 10.5 m -120.5 -16.17 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.62 -178.16 41.8 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.359 -0.924 . . . . 0.0 112.193 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -122.34 35.33 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.159 0.504 . . . . 0.0 110.167 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -153.36 -166.1 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.716 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.526 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 15.6 m-30 -91.86 129.54 37.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.769 178.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 54' ' ' SER . 2.6 m-20 57.6 49.89 11.84 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.871 0.732 . . . . 0.0 111.69 174.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -126.8 130.46 50.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.491 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.487 ' HA ' ' HB ' ' A' ' 88' ' ' VAL . 88.7 t -131.27 110.32 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.902 0.382 . . . . 0.0 110.833 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -98.96 131.8 44.75 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.372 174.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -80.82 -9.43 59.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.813 0.339 . . . . 0.0 111.423 -173.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -86.39 -22.12 26.78 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 99' ' ' LEU . 58.1 mt -74.04 115.05 13.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.413 0.625 . . . . 0.0 110.722 176.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -126.43 40.16 3.78 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.748 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 67.2 p -54.46 135.41 62.18 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.15 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 32.0 Cg_exo -57.32 123.73 14.49 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.851 2.367 . . . . 0.0 111.918 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.405 ' CD1' ' HB2' ' A' ' 86' ' ' LYS . 83.8 m-85 -52.96 123.88 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.395 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -79.18 150.39 31.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -54.3 -62.25 1.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.926 0.766 . . . . 0.0 111.083 -172.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.5 p -130.36 178.6 6.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.815 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -66.65 -26.58 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.1 0.476 . . . . 0.0 109.862 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -72.31 -49.72 32.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.555 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.1 p -75.74 -1.85 26.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.086 0.47 . . . . 0.0 111.104 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 43.9 tp -95.9 -44.04 7.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.242 0.544 . . . . 0.0 110.05 171.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 tp -74.2 -16.73 60.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.772 -176.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.4 ' OD2' ' HD3' ' A' ' 119' ' ' ARG . 8.9 t70 -77.79 -20.6 53.0 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -177.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 m -87.59 -20.17 26.78 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 112.918 -1.946 . . . . 0.0 110.77 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.437 ' HB3' HG21 ' A' ' 70' ' ' THR . 91.3 mt -102.58 -40.26 6.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.185 -174.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.54 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 60.1 m -139.49 106.88 7.12 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.848 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.67 -13.34 38.49 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.743 2.296 . . . . 0.0 111.301 175.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.72 -14.4 62.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.368 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.92 -44.99 82.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.514 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.4 ' HD3' ' OD2' ' A' ' 112' ' ' ASP . 18.4 mtm180 -76.01 -34.01 59.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.095 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -62.91 -48.63 78.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.793 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.11 86.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.993 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -63.95 -45.32 89.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.92 -39.1 96.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.629 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.479 ' HA ' ' HG ' ' A' ' 127' ' ' LEU . 33.9 m-80 -74.31 -23.22 59.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.582 0.229 . . . . 0.0 111.087 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.12 -32.8 74.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.393 . . . . 0.0 110.324 177.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.74 -43.93 71.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.265 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.479 ' HG ' ' HA ' ' A' ' 124' ' ' ASN . 4.6 pp -76.89 -12.61 59.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.919 0.39 . . . . 0.0 110.682 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.8 -19.75 66.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.098 0.475 . . . . 0.0 110.325 177.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' A' ' 129' ' ' ARG . 2.2 mpt_? -67.77 -13.82 62.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.039 177.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.31 -42.56 79.22 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 173.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -70.49 -36.7 73.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.767 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.75 73.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.848 177.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.59 -45.25 76.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.689 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -64.75 -33.26 75.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.772 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -97.67 13.33 30.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.153 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -83.0 -49.39 9.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.009 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.58 164.52 39.7 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.794 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -123.67 127.02 47.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.13 0.49 . . . . 0.0 111.306 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.484 177.356 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -102.98 101.19 11.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.755 -172.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -126.71 -19.07 4.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.398 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -80.32 110.45 15.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.13 0.491 . . . . 0.0 110.917 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.0 t -146.92 -13.63 0.42 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.333 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.4 t30 56.98 86.53 0.16 Allowed Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.573 -172.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -76.1 65.16 7.03 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.775 2.317 . . . . 0.0 111.484 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 ttt -77.35 72.3 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.393 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -111.41 10.93 21.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.981 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 99.5 mt -110.45 151.71 27.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.281 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 p -78.07 117.97 19.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.457 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t -87.01 18.01 3.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.377 0.608 . . . . 0.0 110.92 -174.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.39 23.8 6.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.767 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.1 t -70.84 -31.91 68.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.626 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.37 58.97 4.96 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 175.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -84.38 19.31 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 0.0 111.441 -176.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -63.44 -26.86 68.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.483 0.659 . . . . 0.0 109.507 173.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -91.71 113.14 25.33 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.586 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.81 48.51 0.25 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.944 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 p -92.23 147.13 23.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.756 0.312 . . . . 0.0 110.26 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -79.08 105.84 10.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 0.0 110.078 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 pp -121.41 161.45 22.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.706 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -114.62 83.06 1.83 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.821 0.82 . . . . 0.0 110.114 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.52 -6.71 1.78 Allowed Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.287 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.705 ' HE2' ' HB ' ' A' ' 28' ' ' THR . 20.0 t80 -80.97 130.64 35.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -60.94 -66.41 0.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.948 -172.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.59 -105.4 0.25 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.196 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.705 ' HB ' ' HE2' ' A' ' 25' ' ' PHE . 20.3 m 55.33 86.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.446 0.641 . . . . 0.0 112.7 178.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -98.69 142.49 30.18 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 97.8 mmm -66.44 137.64 56.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.306 0.574 . . . . 0.0 112.037 -173.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -131.36 110.57 11.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 29.2 m-20 -62.3 115.86 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.525 0.202 . . . . 0.0 110.863 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 26.2 tpp -66.09 -19.03 65.72 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 120.927 0.394 . . . . 0.0 110.668 -178.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.56 -38.93 86.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.016 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 1.4 mt -78.21 -45.62 22.55 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.902 -177.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.41 -33.13 67.56 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.635 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.49 -49.84 65.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.201 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.31 -41.58 93.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.572 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.41 96.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.97 -47.48 90.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.049 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.32 -43.59 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.661 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -86.48 1.69 50.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.726 -176.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -93.49 -45.66 7.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -108.92 19.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.539 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.18 -30.62 64.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.928 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -82.71 -3.1 55.96 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.92 -0.22 51.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.284 0.564 . . . . 0.0 110.419 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.56 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 34.0 m -139.36 179.6 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.678 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -75.74 -63.2 1.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -138.26 151.92 48.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.17 177.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.4 ttt -154.17 135.44 14.06 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -160.66 160.8 31.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.617 0.246 . . . . 0.0 110.418 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.73 134.63 29.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 174.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.559 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 17.2 m -58.82 126.78 29.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.079 0.466 . . . . 0.0 112.227 -171.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -94.05 -3.46 51.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.412 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 m -109.05 3.85 22.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 109.257 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' A' ' 65' ' ' TYR . 37.1 mt -126.03 -149.97 0.43 Allowed 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.988 -174.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.6 ptt85 -150.86 172.35 15.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.269 0.557 . . . . 0.0 111.734 -173.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.0 p -141.93 131.27 23.61 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.296 174.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' HB3' HG12 ' A' ' 63' ' ' VAL . . . -118.2 14.81 14.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.6 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' ' 33' ' ' MET . 66.7 m-20 70.98 -28.51 0.18 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.588 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 60' ' ' ALA . 10.8 t70 -79.46 -24.69 42.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.904 0.859 . . . . 0.0 108.768 166.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.468 HG12 ' HB3' ' A' ' 60' ' ' ALA . 14.7 p -143.37 146.25 21.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.099 -176.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.64 118.44 11.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.413 175.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.683 ' HB3' HD13 ' A' ' 57' ' ' LEU . 71.2 m-85 -87.57 124.43 33.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.773 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.0 mt -123.48 138.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.803 -175.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -107.43 124.51 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.03 176.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.86 138.64 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.118 0.485 . . . . 0.0 111.007 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.531 ' HB2' ' HZ ' ' A' ' 92' ' ' PHE . 41.2 tt0 -128.37 108.72 10.8 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 71.9 p -70.36 172.47 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.771 -174.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.525 ' HD3' ' HB1' ' A' ' 117' ' ' ALA . 43.5 mtpt -60.85 -28.99 69.24 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.107 0.479 . . . . 0.0 110.675 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' OE1' ' HD2' ' A' ' 116' ' ' PRO . 36.4 mt-10 -82.59 6.78 16.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.617 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 68.78 16.67 8.9 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.898 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -85.14 115.47 22.96 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -96.36 138.47 33.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.138 -172.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -131.53 150.82 52.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.843 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.2 t -114.94 121.44 43.19 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 173.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -111.05 131.05 55.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.417 0.627 . . . . 0.0 112.023 -171.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.527 ' HG2' HG23 ' A' ' 81' ' ' THR . 45.6 tt0 -101.6 97.56 7.97 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.916 173.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.447 HD13 ' HG ' ' A' ' 85' ' ' LEU . 52.0 tp -78.7 115.97 18.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.903 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.527 HG23 ' HG2' ' A' ' 79' ' ' GLU . 23.4 p -129.94 -171.4 2.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.901 -176.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -65.62 -19.69 66.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 110.726 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.04 5.28 52.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.18 -147.13 16.74 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.99 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.447 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.3 mp -96.97 124.67 41.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 110.226 -178.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.616 ' HD2' ' HE1' ' A' ' 103' ' ' TYR . 62.3 tttt -121.05 142.07 50.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.94 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.547 ' HB ' HG21 ' A' ' 101' ' ' THR . 95.4 t -89.07 116.56 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.497 ' HB ' HG13 ' A' ' 95' ' ' VAL . 9.4 m -107.51 -1.53 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.891 0.377 . . . . 0.0 111.367 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -177.88 163.97 32.6 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.07 -1.062 . . . . 0.0 112.595 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -120.22 33.85 5.44 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.868 0.842 . . . . 0.0 109.561 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -158.33 159.96 36.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.288 176.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.531 ' HZ ' ' HB2' ' A' ' 69' ' ' GLU . 78.5 m-85 -72.73 130.54 40.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 t0 70.01 21.05 6.31 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.771 0.796 . . . . 0.0 110.289 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.438 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 34.0 tt0 -111.28 105.73 14.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.428 177.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.497 HG13 ' HB ' ' A' ' 88' ' ' VAL . 75.4 t -132.8 118.19 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.094 0.473 . . . . 0.0 111.913 -175.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.763 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 9.2 t70 -107.29 120.88 43.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 169.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -68.51 -31.02 69.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.195 -171.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -101.05 9.83 41.7 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -170.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.763 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 21.2 mt -65.08 116.93 6.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.022 0.439 . . . . 0.0 110.895 177.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -87.86 89.4 7.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.95 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.547 HG21 ' HB ' ' A' ' 87' ' ' VAL . 20.0 p -108.31 159.35 31.02 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.502 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -66.42 102.6 0.6 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.089 1.86 . . . . 0.0 112.809 -176.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.616 ' HE1' ' HD2' ' A' ' 86' ' ' LYS . 19.8 m-85 -63.54 122.26 15.87 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.965 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -123.19 132.2 53.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -77.29 -10.16 59.26 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.196 -172.407 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.7 p -127.28 142.86 51.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.157 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.61 -28.01 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.825 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -64.52 -49.13 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.128 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.6 t -61.65 -34.55 75.9 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.691 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.2 tp -76.02 -55.2 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.568 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.8 tp -62.69 -28.23 69.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.885 0.374 . . . . 0.0 110.517 -174.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.24 -38.66 85.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.777 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.6 p -76.61 -5.64 48.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.538 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 48.0 mt -115.47 -49.1 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.538 ' OG ' HG21 ' A' ' 70' ' ' THR . 35.9 m -128.98 124.8 22.61 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -173.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.494 ' HD2' ' OE1' ' A' ' 72' ' ' GLU . 42.9 Cg_endo -68.77 -16.2 41.51 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.827 2.351 . . . . 0.0 111.852 176.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.525 ' HB1' ' HD3' ' A' ' 71' ' ' LYS . . . -64.77 -24.37 67.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.309 0.576 . . . . 0.0 110.023 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -60.51 -50.94 71.57 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.044 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.47 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.05 -48.48 81.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.626 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.0 -43.29 19.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.454 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -62.75 -46.98 85.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.549 -178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.97 -37.59 94.84 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.845 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -62.8 -43.91 97.55 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.43 -41.19 93.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.333 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.65 -41.06 79.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.601 -178.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 128' ' ' GLN . 4.6 pp -74.69 -32.85 62.31 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.843 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.453 ' N ' HD12 ' A' ' 127' ' ' LEU . 5.8 tp-100 -70.3 -37.6 74.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.999 0.428 . . . . 0.0 109.918 176.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -54.14 -38.52 65.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.492 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 55.1 tp -86.97 -40.56 14.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.961 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 28.9 tt0 -66.74 -38.76 87.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.925 -175.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.62 -32.66 73.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.098 0.475 . . . . 0.0 110.679 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.2 tt -75.82 -27.85 58.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.62 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -75.29 -24.41 57.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.376 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 131' ' ' GLU . 95.7 mtt180 -82.5 -6.43 59.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.497 177.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -94.76 153.63 17.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.133 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.01 -131.35 9.86 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.69 98.27 2.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.202 0.525 . . . . 0.0 109.902 178.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.757 178.155 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 mtt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.815 0.341 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -91.78 -34.56 14.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 174.71 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 86.7 m -106.14 103.2 12.62 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.065 169.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -67.93 152.54 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.669 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.7 t -73.89 162.77 28.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.512 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.0 t30 63.07 77.92 0.31 Allowed Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.773 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -92.45 20.2 0.84 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.061 2.508 . . . . 0.0 111.739 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.6 mtp -71.58 103.21 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.829 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -81.34 113.3 19.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.703 -172.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.8 tp -92.76 111.25 22.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m -55.8 -59.19 5.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.556 -174.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.2 p -164.69 -82.79 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 mpt? 64.85 -70.15 0.09 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.71 0.804 . . . . 0.0 111.437 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 t -134.98 -24.38 1.46 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.984 0.421 . . . . 0.0 110.314 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.01 -161.58 40.68 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.916 -176.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -130.65 2.91 4.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -95.95 166.52 11.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.378 -171.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 68.34 15.69 9.27 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.267 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.42 60.28 1.74 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.015 176.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -76.2 -14.95 60.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.487 0.661 . . . . 0.0 109.743 173.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -141.06 143.03 34.13 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 tt -80.1 -76.88 0.21 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -96.89 77.82 2.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.382 0.611 . . . . 0.0 110.313 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 25' ' ' PHE . . . -127.33 131.72 7.28 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.937 177.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 97.0 m-85 73.31 -53.85 0.69 Allowed 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.379 0.672 . . . . 0.0 110.695 -177.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -115.15 128.26 56.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.843 0.354 . . . . 0.0 110.789 177.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.65 74.87 0.43 Allowed Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.4 m -76.2 109.58 9.99 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -171.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 59.62 18.33 7.01 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.366 172.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.505 ' HA ' ' CE ' ' A' ' 30' ' ' MET . 10.9 mmt -81.0 118.33 22.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -80.23 138.23 36.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.996 -175.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.518 ' OD1' ' HB2' ' A' ' 34' ' ' ARG . 8.6 t70 -59.73 106.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.158 176.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.512 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 27.0 tpp -66.41 -19.44 65.8 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -177.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.518 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 77.2 mtm180 -70.3 -32.91 70.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.413 -175.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 5.9 mt -65.58 -52.52 51.63 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.372 0.606 . . . . 0.0 109.494 177.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.93 -31.99 69.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.545 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -67.97 -52.71 32.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.521 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.94 -37.14 86.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.888 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.36 97.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.062 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.519 HG13 HG11 ' A' ' 107' ' ' VAL . 37.0 t -65.54 -49.12 79.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.903 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 69.7 t -53.71 -53.89 23.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.669 -176.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.88 -34.19 77.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.672 -175.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.01 -50.14 37.38 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -171.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.8 m -96.36 4.89 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.589 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 7.6 tt -62.0 -28.91 69.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.961 0.41 . . . . 0.0 110.612 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -66.96 -19.63 65.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.473 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.83 7.52 37.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 111.509 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 31.8 m -130.58 -178.14 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -89.25 -37.83 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.105 0.479 . . . . 0.0 110.238 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -159.72 151.96 20.88 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.7 ttt -165.68 130.5 2.39 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -158.88 161.61 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.588 0.232 . . . . 0.0 110.617 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.21 140.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.604 ' CB ' HD23 ' A' ' 57' ' ' LEU . 8.6 m -72.66 160.63 31.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.898 -175.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -127.54 -4.22 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -172.377 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.536 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 4.5 m -110.51 12.53 22.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.534 0.683 . . . . 0.0 110.284 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.65 ' HG ' ' CB ' ' A' ' 65' ' ' TYR . 3.7 mm? -109.28 -150.74 0.46 Allowed 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.031 -176.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.423 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -140.83 130.01 23.52 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.789 175.633 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.7 m -122.72 88.72 2.98 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.48 176.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -96.86 19.71 12.2 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.71 -175.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 33' ' ' MET . 80.4 m-20 78.6 -24.96 0.2 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.521 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.05 -33.46 73.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 168.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 p -143.76 154.47 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.355 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.07 117.35 4.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.003 172.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.65 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 86.5 m-85 -86.89 128.7 35.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.061 0.457 . . . . 0.0 110.917 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.5 mt -118.09 132.65 67.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.612 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.576 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 84.6 m-20 -95.57 112.28 24.03 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 11.2 p -113.33 142.23 26.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.0 0.429 . . . . 0.0 110.708 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.5 tt0 -135.28 105.66 6.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.626 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 81.5 p -72.91 -177.18 2.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.58 -175.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -68.84 -21.65 64.27 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.956 0.407 . . . . 0.0 110.461 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -72.5 -5.97 40.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.08 174.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 66.23 20.06 11.08 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.216 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -92.76 119.26 31.95 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.678 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -96.41 141.45 29.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.068 -176.644 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -137.42 146.97 45.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.811 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.6 t -101.19 117.28 34.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 70.0 mt -106.44 131.84 53.16 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.169 0.509 . . . . 0.0 111.454 -174.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.69 107.89 19.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.483 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.0 tp -89.19 115.34 26.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.997 0.427 . . . . 0.0 110.553 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 p -137.69 -169.13 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.423 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.72 -17.81 64.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.988 0.423 . . . . 0.0 110.771 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.48 -12.67 57.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.738 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.54 -146.01 17.8 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.783 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 85' ' ' LEU . 5.8 mp -105.38 118.36 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.835 0.35 . . . . 0.0 110.27 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 34.2 ttpt -113.78 138.0 50.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.472 -178.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.8 t -81.0 107.35 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 110.191 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.539 ' HB ' HG13 ' A' ' 95' ' ' VAL . 26.8 m -97.13 -10.34 8.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -173.77 160.61 30.78 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.079 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -109.07 35.56 3.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.492 0.663 . . . . 0.0 110.425 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -150.7 169.66 21.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.933 176.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.576 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 83.3 m-85 -74.16 125.45 28.39 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.497 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.614 ' HA ' HD21 ' A' ' 57' ' ' LEU . 13.5 m-20 65.63 19.39 11.44 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.65 0.594 . . . . 0.0 111.103 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -100.26 115.36 29.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.684 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.539 HG13 ' HB ' ' A' ' 88' ' ' VAL . 86.6 t -120.18 117.13 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.545 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.475 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 10.0 t70 -98.64 126.71 44.32 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -65.44 -26.9 68.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.992 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -95.43 3.46 54.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.362 -174.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.475 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 21.6 mt -89.72 114.58 26.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.15 0.5 . . . . 0.0 110.908 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -124.79 77.13 1.57 Allowed 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -85.83 157.11 57.95 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.926 -176.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -68.73 107.83 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.432 2.088 . . . . 0.0 111.625 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.552 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 1.0 OUTLIER -78.22 153.53 31.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.841 -179.061 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -120.65 143.34 48.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.32 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.454 ' HG3' ' H ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -62.92 -29.47 70.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -172.199 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.8 p -131.4 158.68 40.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.643 0.259 . . . . 0.0 110.76 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.519 HG11 HG13 ' A' ' 40' ' ' VAL . 10.3 p -65.24 -29.54 47.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.296 177.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -60.74 -53.69 54.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.26 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.5 m -60.17 -32.26 70.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.399 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.402 ' O ' ' HB ' ' A' ' 113' ' ' THR . 61.2 tp -73.78 -54.39 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.149 -176.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.67 -19.86 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.005 0.431 . . . . 0.0 111.259 -177.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.29 -18.15 53.25 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.966 1.365 . . . . 0.0 108.138 -177.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 55.3 m -93.94 -14.96 25.4 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 112.704 -2.044 . . . . 0.0 110.665 -178.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.9 mt -114.83 -44.2 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -174.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 118' ' ' TYR . 63.8 m -108.59 117.19 54.86 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.134 0.492 . . . . 0.0 112.318 -172.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 38.3 Cg_endo -69.52 -33.01 18.42 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.434 2.089 . . . . 0.0 111.292 172.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.25 -19.4 59.76 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.004 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.497 ' HB2' ' HB2' ' A' ' 115' ' ' SER . 75.1 t80 -59.31 -43.68 92.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.752 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -67.55 -35.37 78.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.508 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -72.31 -49.84 31.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.635 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.42 -31.96 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.96 -175.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -59.83 -38.87 83.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 0.0 110.642 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -68.54 -26.51 74.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.376 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -65.07 -33.81 76.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.66 0.267 . . . . 0.0 111.409 -176.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.72 -48.9 23.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.094 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.8 mp -60.59 -39.35 87.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.135 0.493 . . . . 0.0 109.705 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.45 HD13 ' C ' ' A' ' 127' ' ' LEU . 1.6 tm? -62.68 -46.74 86.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.62 176.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -63.68 -21.64 66.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.158 0.504 . . . . 0.0 110.788 -176.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -79.01 -3.79 46.82 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.553 -175.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 mp -78.01 -20.7 52.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.18 -0.325 . . . . 0.0 111.116 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.582 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 50.3 mt-10 -62.44 -30.22 71.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.636 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.38 -32.58 39.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.594 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.88 -41.99 58.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.924 0.392 . . . . 0.0 111.071 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -72.02 -37.61 69.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.313 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 131' ' ' GLU . 31.8 mtp180 -77.36 -17.66 58.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.91 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.87 -55.82 4.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.81 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -146.56 113.43 0.67 Allowed Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.888 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -89.06 122.33 32.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.94 0.4 . . . . 0.0 110.462 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.955 176.74 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -104.64 165.3 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.775 0.321 . . . . 0.0 110.42 178.476 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -73.82 -16.44 61.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.292 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 t70 66.7 -176.98 0.2 Allowed 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.41 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.2 m -142.6 126.13 16.81 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -149.41 83.56 6.45 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.38 0.609 . . . . 0.0 111.486 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -90.54 -84.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.895 2.397 . . . . 0.0 112.108 175.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.455 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 2.7 tpt -160.7 78.57 0.62 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.4 -61.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.73 -174.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 mp -91.04 109.85 21.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.909 0.385 . . . . 0.0 110.113 175.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 m -80.6 -6.01 57.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.471 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 p -57.35 -42.37 81.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.24 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 28.0 ttt -134.09 99.31 4.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.805 176.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 t -82.95 167.84 17.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.86 -169.65 19.59 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.091 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -117.66 87.52 2.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.293 0.568 . . . . 0.0 109.583 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -96.53 152.17 18.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.484 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.74 101.68 2.63 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.15 59.04 0.45 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.703 -0.76 . . . . 0.0 113.17 -172.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m 69.37 -175.54 0.2 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.134 0.493 . . . . 0.0 111.736 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -94.32 150.01 20.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.54 -178.039 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.6 mt -77.38 84.87 3.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.098 0.475 . . . . 0.0 110.075 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -104.72 -8.94 18.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.737 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.26 100.03 1.36 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.652 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -74.12 98.45 3.13 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.881 0.372 . . . . 0.0 110.603 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' A' ' 27' ' ' GLY . 3.3 mp0 60.91 -156.94 0.34 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.803 -177.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' H ' ' HB3' ' A' ' 26' ' ' GLU . . . 143.28 -55.31 0.57 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.324 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.4 m -80.36 98.32 7.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -72.74 131.36 42.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.458 -176.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 85.2 mtp 64.59 96.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 O-C-N 124.122 0.889 . . . . 0.0 111.226 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -94.46 113.12 24.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.837 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.711 ' HA ' ' HA ' ' A' ' 61' ' ' ASP . 8.1 t70 -62.95 113.92 3.36 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.594 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 22.2 tpp -64.26 -6.43 6.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.284 -171.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.653 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 3.5 ttm180 -53.95 -42.09 68.51 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.026 0.53 . . . . 0.0 110.974 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 32' ' ' ASP . 3.1 mt -63.48 -50.58 69.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.144 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.45 -30.15 70.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.815 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -68.3 -53.75 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.093 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.27 -29.14 68.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.039 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.69 -56.45 17.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.288 174.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.508 ' O ' HG22 ' A' ' 44' ' ' VAL . 78.7 t -55.27 -40.77 57.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.309 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.61 HG21 HG13 ' A' ' 53' ' ' VAL . 97.7 t -55.8 -36.65 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.539 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.49 -43.59 14.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.75 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.38 -44.72 80.48 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.241 -175.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 40' ' ' VAL . 33.5 m -106.85 16.36 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.851 -177.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 62.2 tp -59.1 -46.46 88.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 111.489 -177.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.535 ' HD1' ' HB1' ' A' ' 121' ' ' ALA . 45.3 p90 -75.69 -8.41 56.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.78 -175.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.7 -16.64 35.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.074 0.464 . . . . 0.0 110.708 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.571 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 26.9 m -122.67 -169.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.657 -178.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 54.8 t30 -94.01 -42.71 8.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.317 0.58 . . . . 0.0 109.733 178.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -149.01 143.23 25.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.906 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.544 ' HB3' HG13 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -136.58 118.0 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.177 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HD2' ' O ' ' A' ' 54' ' ' SER . 33.4 t80 -141.7 129.38 21.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.691 0.281 . . . . 0.0 110.807 -173.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.61 HG13 HG21 ' A' ' 41' ' ' VAL . 3.4 m -76.74 115.22 18.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.02 0.438 . . . . 0.0 110.921 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.616 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 1.2 m 52.82 -149.75 0.38 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.154 -177.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 54' ' ' SER . 2.6 ttpm? 166.55 -40.21 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.1 m -139.17 6.96 2.39 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 113.783 -1.553 . . . . 0.0 109.277 175.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 65' ' ' TYR . 25.4 mt -98.0 -144.81 0.31 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.454 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -165.86 167.38 16.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.83 0.348 . . . . 0.0 110.769 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.9 p -132.44 95.45 3.63 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.63 85.05 2.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.256 -174.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.711 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 24.7 t70 59.71 -82.28 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.154 0.908 . . . . 0.0 112.537 173.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.52 -30.72 63.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.329 -174.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.92 136.96 52.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.007 0.432 . . . . 0.0 111.456 -175.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 33' ' ' MET . . . -129.3 109.07 10.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.071 173.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.852 ' HB3' HD13 ' A' ' 57' ' ' LEU . 57.7 m-85 -86.27 119.06 26.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.92 0.39 . . . . 0.0 110.73 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.8 mt -120.88 140.82 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.798 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.538 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 91.2 m-20 -111.23 112.67 24.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.542 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.492 HG23 ' HG2' ' A' ' 51' ' ' MET . 10.7 p -118.33 142.5 32.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.253 0.549 . . . . 0.0 110.988 -176.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.571 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 33.9 tt0 -122.7 112.49 18.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.343 175.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.438 ' HA ' HG12 ' A' ' 48' ' ' VAL . 71.5 p -62.53 169.94 2.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.739 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 16.3 ptpt -76.08 -0.36 21.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.68 178.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 16.0 tt0 -85.9 -4.97 59.29 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 169.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 60.34 44.63 12.11 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.283 -174.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -109.28 132.7 53.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.555 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 3.7 mpt_? -96.97 129.69 44.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.049 0.452 . . . . 0.0 111.313 -170.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -133.13 129.41 37.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.226 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 12.2 t -97.2 116.62 29.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.8 mt -110.58 128.72 55.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.314 0.578 . . . . 0.0 111.571 -173.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -97.14 101.59 13.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.188 175.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 57.5 tp -83.21 117.84 23.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.15 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.1 p -138.05 -170.66 2.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.067 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.79 -14.4 62.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.965 0.412 . . . . 0.0 110.517 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.57 2.1 55.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.395 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.44 -143.81 15.82 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.075 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.459 ' HB2' HD22 ' A' ' 110' ' ' LEU . 5.7 mp -105.21 110.89 23.43 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -178.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.474 ' HE3' HG12 ' A' ' 88' ' ' VAL . 4.6 tmtm? -113.57 124.78 53.16 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.344 -176.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.24 128.26 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.694 -177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.501 HG21 HG22 ' A' ' 95' ' ' VAL . 13.2 m -114.31 -9.55 12.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.878 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.46 163.02 31.96 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.427 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -107.71 30.81 5.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.23 0.538 . . . . 0.0 110.205 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -153.52 163.47 39.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.679 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 17.2 m-85 -65.39 122.45 17.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.875 0.369 . . . . 0.0 110.987 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.587 ' HA ' HD11 ' A' ' 57' ' ' LEU . 14.2 m-20 66.77 24.16 9.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.451 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -98.69 108.54 21.26 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.501 HG22 HG21 ' A' ' 88' ' ' VAL . 86.2 t -122.11 115.09 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.83 0.348 . . . . 0.0 111.602 -176.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.471 ' OD2' ' HB2' ' A' ' 98' ' ' HIS . 31.5 t70 -126.49 111.96 15.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.515 171.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.85 -9.7 58.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.143 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.471 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 61.9 m80 -73.56 -19.18 60.96 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.95 114.95 6.93 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.411 169.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -112.43 48.93 0.95 Allowed 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.522 0.677 . . . . 0.0 110.215 -175.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.6 p -67.39 138.24 94.01 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.439 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.99 129.17 32.93 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.642 2.228 . . . . 0.0 112.62 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -64.74 131.43 46.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.253 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -108.05 134.88 50.31 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -78.15 -45.04 24.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.426 -171.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.4 p -110.1 139.8 44.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.39 . . . . 0.0 111.491 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.28 -24.2 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.596 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -56.2 -60.76 3.04 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.461 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -70.2 -34.29 72.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.908 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.592 ' O ' HG22 ' A' ' 113' ' ' THR . 38.4 tp -65.22 -57.52 8.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.821 0.343 . . . . 0.0 111.403 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.482 HD21 HG13 ' A' ' 48' ' ' VAL . 27.5 tp -66.08 -31.92 73.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.167 -174.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.17 -37.75 88.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.294 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 110' ' ' LEU . 4.9 t -78.86 -17.0 56.34 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.437 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 97.4 mt -83.97 -46.35 12.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 75.7 m -137.74 112.88 9.11 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.166 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.1 -9.7 20.47 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.721 2.281 . . . . 0.0 111.678 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.541 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -71.95 -5.48 35.09 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.577 175.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.443 ' CD1' HD23 ' A' ' 111' ' ' LEU . 91.1 t80 -61.21 -48.58 80.86 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.838 174.173 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.645 ' HA ' ' HB3' ' A' ' 122' ' ' PHE . 43.7 mtm180 -74.81 -10.25 59.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.849 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.536 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 43.2 mm-40 -67.29 -50.01 61.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 171.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.535 ' HB1' ' HD1' ' A' ' 46' ' ' PHE . . . -76.9 -35.48 57.36 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.5 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.645 ' HB3' ' HA ' ' A' ' 119' ' ' ARG . 56.8 t80 -66.06 -35.92 81.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.368 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.78 -35.3 91.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.632 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -65.75 -34.46 78.23 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.09 -29.05 70.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.515 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.91 -54.11 17.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.737 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.85 -13.54 61.7 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.236 0.541 . . . . 0.0 110.785 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.04 -21.07 65.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.423 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -55.15 -52.92 61.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.743 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.74 -24.08 58.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.04 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -73.97 -54.8 7.13 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.438 ' HA ' ' HB3' ' A' ' 135' ' ' ARG . . . -65.82 -26.83 67.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.386 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 43.0 tp -60.66 -29.7 69.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.797 177.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -94.79 -16.28 23.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.099 0.476 . . . . 0.0 110.085 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.438 ' HB3' ' HA ' ' A' ' 132' ' ' ALA . 61.4 ttt180 -83.75 -44.44 14.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.135 -175.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.1 104.5 8.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.264 -177.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -81.2 150.96 30.92 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.433 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.518 ' CD ' ' H ' ' A' ' 138' ' ' GLN . 5.0 pm0 -81.89 41.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.272 0.558 . . . . 0.0 110.863 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.247 0.95 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.104 0.478 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.1 mp0 -57.6 103.23 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.609 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.2 p 42.68 74.13 0.12 Allowed 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.684 0.615 . . . . 0.0 111.203 -173.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -86.19 57.62 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.412 0.625 . . . . 0.0 110.159 -174.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.6 m -135.91 140.42 44.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.975 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -111.29 143.61 28.79 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.26 126.13 20.63 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.958 2.439 . . . . 0.0 113.222 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.9 ttt -116.51 96.41 5.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.534 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 58.35 -164.71 0.19 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.066 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tt 53.24 75.5 0.25 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.82 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.1 t -127.76 90.86 3.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.021 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.3 t -73.13 145.12 46.64 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 28.0 ttt -77.3 80.73 3.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.137 0.494 . . . . 0.0 110.817 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.1 m -75.9 91.12 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.916 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.31 -105.33 0.67 Allowed Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.168 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -137.9 129.32 27.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.592 0.234 . . . . 0.0 110.916 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 61.86 31.97 18.13 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.457 174.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.19 -89.48 0.35 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 171.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.16 -67.78 1.76 Allowed Glycine 0 CA--C 1.521 0.466 0 C-N-CA 121.315 -0.469 . . . . 0.0 114.075 173.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -162.33 -144.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -173.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 73.55 6.72 5.06 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.626 0.771 . . . . 0.0 111.737 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.6 mt -87.52 66.24 8.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.122 0.487 . . . . 0.0 109.725 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -77.6 105.26 8.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.865 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.45 176.22 35.19 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.006 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -90.38 28.98 1.33 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.533 0.206 . . . . 0.0 111.246 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 72.32 2.36 4.3 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.88 175.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.78 -22.8 71.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.802 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.1 m -132.0 97.72 4.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.884 0.373 . . . . 0.0 110.586 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.12 -58.55 3.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.413 0.625 . . . . 0.0 109.427 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -171.48 171.95 5.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.603 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 24.2 pttt -120.64 110.69 16.72 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.989 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.569 ' HB2' ' HG ' ' A' ' 35' ' ' LEU . 4.1 m-20 -80.68 134.45 35.86 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 167.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.7 tpp -62.92 -16.45 59.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.278 0.561 . . . . 0.0 109.662 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 34' ' ' ARG . 58.4 mtt180 -61.1 -34.15 74.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.634 174.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' HB2' ' A' ' 32' ' ' ASP . 7.7 mt -78.43 -46.81 18.9 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.18 -176.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.85 -26.02 68.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.264 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -74.89 -47.87 27.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.359 177.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -59.13 -38.55 79.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.481 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.08 92.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.629 178.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.521 HG13 HG11 ' A' ' 107' ' ' VAL . 53.4 t -64.96 -51.02 71.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.225 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.558 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 79.7 t -55.64 -43.54 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.632 -177.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -81.8 -3.83 54.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.08 -52.48 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.071 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.775 ' HA ' ' HZ ' ' A' ' 122' ' ' PHE . 35.0 m -93.94 8.81 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 65.1 tp -57.65 -30.62 65.55 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.036 0.446 . . . . 0.0 111.211 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -72.01 -9.56 58.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.589 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.53 -14.85 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.671 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 29.9 m -127.2 -171.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.499 0.19 . . . . 0.0 111.318 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -82.41 -58.22 3.02 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.208 0.528 . . . . 0.0 110.157 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -143.2 147.11 34.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.469 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.8 ttt -151.73 135.61 16.44 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -151.77 134.93 15.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.431 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 p -75.93 126.2 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.515 ' CB ' HD23 ' A' ' 57' ' ' LEU . 8.8 m -74.48 123.35 24.56 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.552 0.692 . . . . 0.0 111.846 -171.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -99.29 13.69 32.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.307 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.41 ' C ' HD22 ' A' ' 57' ' ' LEU . 2.8 p -114.17 22.51 13.75 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.416 0.627 . . . . 0.0 110.435 -174.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.598 ' HG ' ' HB2' ' A' ' 65' ' ' TYR . 4.3 mm? -122.77 -155.22 0.64 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.463 -175.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 58' ' ' ARG . 7.5 ptp85 -111.32 13.74 21.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.487 -176.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 3.2 m -53.78 131.98 40.54 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.786 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.25 -70.6 0.16 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.599 0.714 . . . . 0.0 111.455 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -110.14 -68.97 0.89 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.277 -165.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.49 ' O ' ' HA ' ' A' ' 81' ' ' THR . 13.4 t70 -116.78 -2.71 11.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.234 0.54 . . . . 0.0 110.735 -175.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 11.2 p -122.35 131.65 72.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.675 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.44 129.8 18.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.38 175.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.598 ' HB2' ' HG ' ' A' ' 57' ' ' LEU . 37.6 m-85 -93.35 121.61 34.91 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.0 mt -113.53 131.75 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.081 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.466 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 8.3 m120 -101.21 113.14 25.92 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.301 0.572 . . . . 0.0 110.005 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -121.75 140.95 44.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.425 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.671 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 30.5 tt0 -115.22 110.34 19.32 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.622 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 68.0 p -66.49 171.9 4.58 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.402 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 89.1 mttt -75.38 1.47 13.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.054 0.454 . . . . 0.0 110.979 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -96.8 6.02 49.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 67.34 22.05 9.62 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.279 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.05 124.01 34.41 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.38 117.24 29.98 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -112.53 132.06 55.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.94 0.4 . . . . 0.0 110.723 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.08 101.95 14.48 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 171.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.7 mt -94.63 134.96 36.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.191 0.519 . . . . 0.0 111.235 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 27.3 tt0 -94.35 104.09 16.08 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.54 177.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.2 tp -91.86 109.52 20.85 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.553 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 79.7 p -130.23 169.16 15.75 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.01 -28.91 68.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.957 0.408 . . . . 0.0 110.412 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.6 -24.19 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.323 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.63 -179.74 22.47 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.086 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.502 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 6.0 mp -109.99 130.69 55.5 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.547 ' HG2' ' HA ' ' A' ' 103' ' ' TYR . 23.4 mtmm -120.58 160.59 22.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.42 ' HB ' HG21 ' A' ' 101' ' ' THR . 50.3 t -89.59 113.14 25.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 19.3 m -115.55 23.14 5.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.667 0.27 . . . . 0.0 111.232 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . 172.15 150.72 7.4 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.051 -1.071 . . . . 0.0 112.762 176.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -112.02 28.57 8.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.975 0.417 . . . . 0.0 110.785 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -157.87 169.64 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.394 177.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.466 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 56.4 m-85 -69.19 135.02 50.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.024 178.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p30 46.39 24.6 0.31 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.183 0.993 . . . . 0.0 113.237 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.442 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 48.7 tt0 -111.31 116.95 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.167 176.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.62 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 66.1 t -98.97 108.66 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.154 0.502 . . . . 0.0 110.615 176.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -83.03 97.45 8.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -71.7 -13.82 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.42 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -81.23 -10.78 59.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.95 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.77 136.34 48.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.988 0.423 . . . . 0.0 111.132 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -124.86 18.77 8.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.532 -177.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.2 t -55.03 135.45 67.48 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.884 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 9.3 Cg_exo -70.5 158.2 56.68 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.948 2.432 . . . . 0.0 112.948 -177.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.547 ' HA ' ' HG2' ' A' ' 86' ' ' LYS . 17.3 m-85 -63.17 132.76 52.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.943 175.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -101.34 151.44 21.9 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.748 172.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.635 ' CD ' ' H ' ' A' ' 105' ' ' GLU . 1.4 mp0 -54.96 -66.96 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.531 -173.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.2 p -130.3 167.79 17.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.25 -175.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.521 HG11 HG13 ' A' ' 40' ' ' VAL . 14.7 p -72.06 -22.57 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.975 0.417 . . . . 0.0 109.928 176.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -69.54 -49.89 50.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.2 p -75.07 -26.87 59.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.975 0.417 . . . . 0.0 110.569 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.67 -50.72 41.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.746 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.1 -25.48 68.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.176 0.512 . . . . 0.0 109.861 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.68 -41.17 94.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.195 176.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.4 p -76.63 -15.12 59.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.215 -177.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.478 ' HB3' HG21 ' A' ' 70' ' ' THR . 46.7 mt -102.17 -19.03 15.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.201 -173.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.622 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 70.8 m -155.61 110.61 2.19 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.294 176.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 29.4 Cg_endo -63.97 -20.85 68.47 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.587 2.191 . . . . 0.0 111.848 178.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.1 -10.87 60.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.083 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -56.68 -33.27 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.888 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -75.88 -26.96 57.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.279 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -91.09 -0.04 57.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.626 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.81 -67.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.646 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.775 ' HZ ' ' HA ' ' A' ' 44' ' ' VAL . 75.5 m-85 -78.82 -33.56 46.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.494 -177.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.46 -43.83 90.31 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.988 175.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -69.99 -32.57 70.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.017 0.437 . . . . 0.0 110.24 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.1 -46.45 64.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.043 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.59 -38.83 87.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.201 0.524 . . . . 0.0 109.829 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.459 HD13 ' C ' ' A' ' 127' ' ' LEU . 1.6 tm? -56.23 -42.49 77.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.632 176.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.93 -28.41 70.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.492 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -65.97 -25.68 67.22 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.695 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 134' ' ' LYS . 8.4 mp -92.97 -38.18 11.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.293 176.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.31 -41.29 94.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.01 -37.72 88.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.364 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 133' ' ' LEU . 5.8 tt -67.25 -31.23 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.74 178.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 130' ' ' LEU . 74.6 mmtt -63.77 -41.74 97.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.368 175.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -75.74 -31.28 59.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.148 0.499 . . . . 0.0 110.679 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -138.2 97.62 3.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.537 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 140.61 164.71 10.02 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.91 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -116.55 93.72 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.174 0.511 . . . . 0.0 111.056 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 56.3 m . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.573 176.254 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 tpt . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 66.15 129.23 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.591 0.756 . . . . 0.0 111.146 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 m 62.14 32.74 17.29 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.852 0.834 . . . . 0.0 109.132 -175.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.89 125.77 22.86 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.947 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.5 m -86.87 -4.72 59.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.892 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -97.65 109.54 51.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.339 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -92.19 7.89 3.04 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.983 2.455 . . . . 0.0 113.499 -175.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.9 105.66 8.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.306 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -99.81 131.46 45.77 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.126 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tt -81.12 -63.73 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.6 m -152.29 85.91 1.28 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.1 m 61.3 -86.5 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.297 -172.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -131.61 -76.05 0.52 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.478 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 57.5 m -161.28 -179.09 7.14 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 176.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.88 78.04 1.08 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.332 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 14' ' ' SER . 65.3 m-85 -124.26 173.74 8.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.73 0.3 . . . . 0.0 110.298 178.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -93.03 177.85 5.94 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.467 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -73.97 -43.43 58.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.015 0.436 . . . . 0.0 110.446 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.09 -162.94 46.81 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.475 -177.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 m -134.58 -77.49 0.46 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.927 0.364 . . . . 0.0 110.357 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -145.15 128.0 16.37 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.491 HD12 ' HE2' ' A' ' 25' ' ' PHE . 3.9 mm? 63.03 -165.84 0.23 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.593 0.558 . . . . 0.0 110.163 -173.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -128.59 -63.63 0.97 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.66 0.267 . . . . 0.0 110.52 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.83 106.75 0.2 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.894 -1.146 . . . . 0.0 113.28 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.491 ' HE2' HD12 ' A' ' 22' ' ' LEU . 95.3 m-85 -110.16 16.97 21.45 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 173.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HB3' ' H ' ' A' ' 27' ' ' GLY . 13.8 mp0 -92.36 -145.51 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.938 -176.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.433 ' H ' ' HB3' ' A' ' 26' ' ' GLU . . . 102.17 -125.23 8.46 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 110.104 -1.199 . . . . 0.0 110.104 -173.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 m 62.34 108.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 174.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -56.73 130.12 44.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.161 172.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -48.64 97.48 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.737 0.648 . . . . 0.0 112.385 -172.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -127.73 30.75 5.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.192 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 4.3 m-20 -54.42 128.89 33.72 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.725 177.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -35.21 76.15 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -167.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.7 ttt180 -73.26 -21.77 60.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.131 -175.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' A' ' 32' ' ' ASP . 22.7 mt -76.83 -45.07 29.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.191 0.52 . . . . 0.0 109.711 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 40' ' ' VAL . 61.4 mm-40 -68.38 -18.79 64.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.191 173.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -73.65 -45.35 53.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.127 177.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 56.1 mm-40 -55.31 -40.27 70.92 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.035 175.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.92 83.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.08 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 36' ' ' GLU . 90.6 t -59.48 -45.56 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.302 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.568 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 97.4 t -58.22 -35.85 55.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 111.318 -178.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -84.12 -27.81 27.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.056 0.455 . . . . 0.0 110.773 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.71 -50.76 12.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.216 -172.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 m -106.26 15.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 51.5 tp -56.47 -38.89 72.31 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -74.44 -3.58 31.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -174.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.55 -13.84 27.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.942 0.401 . . . . 0.0 110.76 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.604 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 33.5 m -128.43 -168.92 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -98.46 -37.0 9.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.33 -174.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -167.68 128.56 1.45 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.745 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.505 ' HG2' HG23 ' A' ' 68' ' ' VAL . 82.0 mtp -119.14 141.79 48.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.634 0.254 . . . . 0.0 110.406 177.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -155.84 120.22 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 -176.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.64 141.66 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.478 ' HB3' HD13 ' A' ' 57' ' ' LEU . 19.6 m -62.44 158.08 18.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.434 0.635 . . . . 0.0 112.519 -171.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -132.6 -6.47 3.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.464 -176.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.547 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 50.1 m -110.81 7.34 21.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.953 0.406 . . . . 0.0 111.308 -176.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 54' ' ' SER . 4.9 mp -122.22 -153.12 0.53 Allowed 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -123.0 143.41 49.95 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 120.925 0.393 . . . . 0.0 110.377 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.5 p -128.68 97.89 4.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.805 174.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.84 5.91 48.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.991 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 70.58 0.65 3.35 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.535 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -94.63 -17.35 22.38 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 162.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.1 p -144.69 139.52 23.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 113.94 -1.482 . . . . 0.0 109.195 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 80' ' ' LEU . . . -142.92 118.03 10.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.781 0.324 . . . . 0.0 110.511 176.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -86.82 123.15 31.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.378 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.41 HD11 ' HB1' ' A' ' 37' ' ' ALA . 60.9 mt -118.97 134.36 62.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -96.96 134.54 40.18 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.505 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.5 p -134.3 113.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.711 0.767 . . . . 0.0 111.058 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.1 tt0 -95.55 109.65 21.84 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 173.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.604 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 43.1 p -73.48 176.06 6.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.54 -177.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.447 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 85.3 mttt -75.5 0.15 18.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 110.54 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -88.88 0.99 56.08 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 171.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 66.79 19.78 10.68 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.376 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -96.42 133.37 40.92 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -96.1 111.07 23.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -108.83 126.1 52.68 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.824 0.345 . . . . 0.0 110.118 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.46 ' O ' HG22 ' A' ' 88' ' ' VAL . 12.9 t -96.34 131.7 42.6 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 80.0 mt -121.71 137.64 54.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.216 0.531 . . . . 0.0 111.376 -174.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 81' ' ' THR . 43.9 tt0 -93.76 101.57 13.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 64' ' ' ALA . 60.9 tp -81.66 115.69 21.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.735 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.49 HG23 ' HG2' ' A' ' 79' ' ' GLU . 74.3 p -127.32 178.36 6.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.356 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -74.8 -9.97 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.36 0.6 . . . . 0.0 109.455 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.41 -13.37 30.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.892 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.96 -165.9 24.76 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.732 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 mp -109.07 118.77 37.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.687 0.279 . . . . 0.0 110.273 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.589 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 52.3 tttp -113.33 142.1 46.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 -177.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.575 ' HB ' ' HB ' ' A' ' 101' ' ' THR . 44.0 t -74.83 125.77 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.682 ' HB ' ' CB ' ' A' ' 95' ' ' VAL . 21.7 m -105.98 -25.81 3.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.39 169.73 42.6 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.501 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -102.04 21.45 14.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.756 0.312 . . . . 0.0 110.462 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.8 165.14 27.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.041 0.448 . . . . 0.0 110.927 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.17 124.31 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.147 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 56' ' ' SER . 24.0 m-20 64.29 34.49 10.64 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.579 0.549 . . . . 0.0 110.915 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -122.72 127.04 48.71 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -175.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.682 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 2.6 p -136.46 137.88 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.92 170.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -101.91 136.68 41.33 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.78 -32.46 73.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.814 -173.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -107.05 17.96 22.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.871 0.367 . . . . 0.0 111.515 -175.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 mt -79.59 106.07 11.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 0.0 110.218 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -92.43 28.38 1.98 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.523 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.575 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -54.54 134.74 63.23 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.209 176.398 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 35.3 Cg_exo -60.39 166.63 9.14 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 123.223 2.615 . . . . 0.0 113.332 -175.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.589 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -133.85 151.16 51.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.246 178.687 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -117.82 174.52 6.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.027 0.441 . . . . 0.0 111.701 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.493 ' H ' ' CD ' ' A' ' 105' ' ' GLU . 26.9 mp0 -66.7 -64.08 0.93 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.807 -176.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 64.6 p -123.14 176.26 6.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.069 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 p -68.53 -25.99 32.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.034 0.445 . . . . 0.0 109.874 176.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -66.88 -56.76 8.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.709 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.3 p -71.68 -6.66 42.74 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.934 0.397 . . . . 0.0 111.375 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.7 tp -96.23 -55.42 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.955 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.477 HD23 ' CD1' ' A' ' 118' ' ' TYR . 15.5 tp -63.05 -25.31 68.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.351 0.596 . . . . 0.0 109.821 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -63.13 -31.22 72.31 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.968 177.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 43.1 p -91.38 -2.52 57.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.898 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 76.3 mt -115.62 -60.24 1.9 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.107 -171.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 67.0 m -99.41 119.04 61.27 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -170.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -60.53 -31.59 92.56 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.815 2.344 . . . . 0.0 111.307 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -65.06 -31.57 72.85 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.477 ' CD1' HD23 ' A' ' 111' ' ' LEU . 81.5 t80 -61.0 -38.17 85.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.571 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 119' ' ' ARG . 8.5 mmm180 -59.42 -46.96 87.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.469 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -69.91 -42.8 72.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.82 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.16 90.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.232 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -67.4 -42.22 83.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.167 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.74 -36.97 92.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.175 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -55.72 -41.81 74.37 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.938 0.399 . . . . 0.0 110.919 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.75 84.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.972 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.23 -46.07 61.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.558 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 128' ' ' GLN . 4.4 pp -69.54 -26.97 64.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.674 0.273 . . . . 0.0 111.319 -177.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.422 ' N ' HD12 ' A' ' 127' ' ' LEU . 19.9 tm0? -75.36 -25.85 58.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.156 0.503 . . . . 0.0 109.762 178.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -66.26 -23.6 66.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.97 -51.87 62.29 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.936 0.398 . . . . 0.0 110.311 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.556 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 7.8 pt-20 -71.03 -30.43 66.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.666 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.1 68.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.027 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 98.1 mt -63.76 -44.07 94.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 0.0 110.731 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -80.74 -19.18 45.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.842 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 131' ' ' GLU . 91.9 mtt-85 -77.42 -20.75 54.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.078 0.466 . . . . 0.0 109.863 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -87.73 -53.43 4.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.753 172.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 178.88 -106.26 0.21 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.913 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -153.91 -169.38 3.25 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -173.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.541 178.475 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -150.13 -25.34 0.25 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.07 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.7 p -72.77 -70.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.386 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 55.49 68.39 0.87 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.205 0.526 . . . . 0.0 109.844 -175.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.4 t -90.36 29.52 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.291 -172.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.432 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . 3.8 p-10 43.4 93.09 0.05 OUTLIER Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 124.26 1.024 . . . . 0.0 113.353 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 6' ' ' ASN . 38.1 Cg_endo -67.02 136.72 42.05 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.623 2.216 . . . . 0.0 112.116 178.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mmm -79.41 -36.52 38.95 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -83.55 104.28 13.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.224 174.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -80.0 -35.57 37.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.997 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m 60.47 13.14 3.92 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.589 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.642 ' HB3' ' HZ ' ' A' ' 16' ' ' PHE . 50.5 m -149.48 106.02 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.1 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 84.6 mtp -108.61 166.84 10.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.394 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.5 m -58.64 131.36 50.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.46 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.44 -43.08 0.43 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.885 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.642 ' HZ ' ' HB3' ' A' ' 12' ' ' SER . 42.3 p90 -98.34 33.96 2.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.884 0.373 . . . . 0.0 111.841 -174.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -88.67 28.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.72 0.295 . . . . 0.0 111.444 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.9 113.34 2.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.256 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.94 -175.7 46.46 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.591 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.727 ' HA ' ' HB2' ' A' ' 23' ' ' ASN . 45.7 m 60.52 32.93 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.234 0.54 . . . . 0.0 110.726 -177.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 78.7 mm-40 -71.15 107.89 4.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.449 176.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 76.0 mt 70.3 25.3 4.54 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.875 0.734 . . . . 0.0 110.314 -171.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.727 ' HB2' ' HA ' ' A' ' 20' ' ' SER . 19.1 m120 -123.89 108.55 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.064 177.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.33 29.26 5.47 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.628 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -95.48 102.42 14.22 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 176.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.501 ' HG3' ' H ' ' A' ' 28' ' ' THR . 15.6 tp10 -133.78 155.28 50.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.597 -172.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.28 -25.87 62.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.095 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.501 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 25.2 m -132.68 123.83 27.06 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 176.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -78.76 174.68 11.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 69.8 mtm -85.04 90.11 7.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.188 0.518 . . . . 0.0 109.836 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -85.44 158.12 20.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.816 -175.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.523 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 66.7 t0 -106.88 121.53 44.6 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 175.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.423 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 33.0 tpp -61.68 -22.74 65.58 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.573 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 ttp85 -63.94 -28.2 69.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.28 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.523 ' HG ' ' HB3' ' A' ' 32' ' ' ASP . 12.7 mt -71.4 -48.9 46.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.19 0.519 . . . . 0.0 109.933 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 40' ' ' VAL . 40.1 mt-10 -65.87 -26.76 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.318 174.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -67.45 -53.01 32.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.674 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -58.55 -35.87 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.412 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.3 -48.62 79.05 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.661 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' O ' HG22 ' A' ' 44' ' ' VAL . 78.6 t -62.9 -49.76 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.027 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.579 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 69.0 t -53.81 -47.88 62.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.423 -178.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.83 -35.3 72.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.378 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.58 -50.16 22.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.333 -0.394 . . . . 0.0 112.032 -172.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.7 m -95.6 11.98 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.664 -174.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 46.9 tp -59.02 -29.38 67.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.515 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -75.55 -10.45 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 111.098 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.37 4.88 41.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.115 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.1 m -140.39 179.98 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -90.35 -39.77 12.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.013 0.435 . . . . 0.0 110.302 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.434 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 56.2 t30 -153.17 154.28 34.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.579 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 16.1 ttt -162.74 127.37 3.11 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -157.84 136.93 11.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.284 -176.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.493 HG12 HG12 ' A' ' 66' ' ' ILE . 17.8 m -60.47 136.24 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.438 ' CB ' HD12 ' A' ' 57' ' ' LEU . 16.1 m -52.32 -49.05 64.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -170.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.6 tttt 68.26 6.44 5.3 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.818 0.818 . . . . 0.0 109.869 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.4 m -127.6 23.62 6.27 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 65' ' ' TYR . 14.9 mt -151.58 123.0 7.83 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 113.438 -1.71 . . . . 0.0 108.906 -171.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.63 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -63.42 112.54 2.79 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.495 -170.541 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 4.1 p -104.14 95.03 5.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.466 170.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.51 -76.34 0.17 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.924 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -140.37 -64.09 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.596 -176.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.31 19.5 19.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.967 0.413 . . . . 0.0 111.238 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.9 p -141.27 129.21 22.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.096 176.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.28 125.24 14.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.578 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.548 ' HB3' HD13 ' A' ' 57' ' ' LEU . 97.3 m-85 -95.15 126.1 40.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.713 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.493 HG12 HG12 ' A' ' 53' ' ' VAL . 50.7 mt -124.96 144.3 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.72 -176.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -106.24 124.46 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 11.3 p -121.49 147.21 25.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 -176.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.524 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 43.7 tt0 -134.44 104.51 6.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.454 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 72.6 p -65.77 175.18 2.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.645 -175.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 117' ' ' ALA . 50.2 mtpt -67.79 -19.82 65.13 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.986 0.422 . . . . 0.0 110.608 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -80.47 2.87 23.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.985 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 69.79 21.08 6.57 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.587 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -89.47 130.21 35.85 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.623 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 91.1 mtm180 -100.96 132.91 46.14 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.044 0.449 . . . . 0.0 110.795 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 72.6 m-85 -129.25 152.15 49.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.239 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.9 t -111.54 122.24 47.3 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.466 HD13 HD23 ' A' ' 85' ' ' LEU . 88.2 mt -111.06 127.72 55.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.285 0.564 . . . . 0.0 111.688 -173.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -95.31 95.0 8.19 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.736 173.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.572 HD13 ' HG ' ' A' ' 85' ' ' LEU . 50.7 tp -82.47 115.16 21.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.716 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.9 p -135.16 -166.97 1.92 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.864 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.51 -19.69 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.977 0.418 . . . . 0.0 110.553 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.4 3.18 55.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.775 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.43 -143.25 16.42 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.327 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.572 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.5 mp -101.86 116.17 32.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.046 0.451 . . . . 0.0 110.271 -177.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.49 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 34.2 tttt -116.09 136.47 52.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.73 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.56 ' HB ' HG21 ' A' ' 101' ' ' THR . 59.9 t -85.97 110.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.806 0.336 . . . . 0.0 110.248 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.568 HG21 HG22 ' A' ' 95' ' ' VAL . 3.6 m -91.63 -5.1 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.514 ' HA2' HD22 ' A' ' 99' ' ' LEU . . . 169.47 164.64 25.52 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.47 178.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 8.3 p90 -118.57 75.82 1.05 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.967 0.889 . . . . 0.0 110.298 176.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.88 -179.32 3.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.884 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -88.5 107.38 18.85 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 64.55 78.74 0.27 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.445 -174.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -146.57 108.59 4.39 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.568 HG22 HG21 ' A' ' 88' ' ' VAL . 77.9 t -124.31 121.35 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.972 0.415 . . . . 0.0 112.041 -173.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 6.5 t70 -146.66 142.79 28.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.957 170.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -89.82 -1.14 57.92 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.404 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -99.02 0.57 44.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' HA2' ' A' ' 89' ' ' GLY . 8.5 mp -74.98 121.84 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.474 -0.49 . . . . 0.0 109.775 171.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -85.56 75.09 10.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.163 0.506 . . . . 0.0 111.171 -174.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.56 HG21 ' HB ' ' A' ' 87' ' ' VAL . 40.9 p -111.08 134.18 21.11 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.967 176.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.83 125.37 15.25 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.674 2.249 . . . . 0.0 112.686 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.49 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 85.2 m-85 -61.72 122.88 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.745 174.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -109.55 140.65 43.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.955 0.407 . . . . 0.0 110.284 175.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -76.64 -27.96 55.87 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.76 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 46.0 p -131.46 150.07 52.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.758 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.26 -22.5 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.424 178.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.477 ' HA ' ' OH ' ' A' ' 118' ' ' TYR . 25.8 m-85 -56.7 -63.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 -178.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.487 ' O ' HG23 ' A' ' 113' ' ' THR . 7.6 m -70.11 -19.66 63.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.428 -176.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 85' ' ' LEU . 28.5 tp -80.57 -54.79 5.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.517 HD23 ' CD1' ' A' ' 118' ' ' TYR . 14.6 tp -63.87 -25.06 67.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.087 0.47 . . . . 0.0 109.874 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.96 -35.5 80.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.318 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 109' ' ' SER . 58.1 p -74.18 -8.25 55.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.217 0.532 . . . . 0.0 110.877 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.2 mt -112.28 -44.23 3.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.874 -175.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.454 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 56.2 m -119.01 122.74 29.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.636 -178.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.35 -18.33 26.5 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.482 2.121 . . . . 0.0 110.942 172.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.444 ' CB ' ' HD3' ' A' ' 71' ' ' LYS . . . -73.19 -10.14 59.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.061 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.517 ' CD1' HD23 ' A' ' 111' ' ' LEU . 74.8 t80 -64.4 -51.28 64.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.283 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -72.74 -19.85 61.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.128 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.44 ' CD ' ' HA ' ' A' ' 117' ' ' ALA . 89.5 mt-10 -68.17 -54.87 14.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.1 90.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.887 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -64.55 -40.8 96.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.977 176.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.4 -38.82 96.37 Favored Glycine 0 C--O 1.22 -0.74 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.816 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -60.03 -34.3 73.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.546 0.212 . . . . 0.0 111.404 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.35 -43.72 66.42 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.842 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.23 -32.66 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.566 0.698 . . . . 0.0 109.642 175.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.462 HD13 ' C ' ' A' ' 127' ' ' LEU . 2.6 tm? -59.67 -54.17 49.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.0 174.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.461 ' HA ' ' HB3' ' A' ' 131' ' ' GLU . 97.9 mt-30 -68.73 -25.41 64.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.719 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -63.03 -45.84 90.38 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 174.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.9 tt -70.81 -32.54 69.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.944 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.776 ' HG3' ' HD2' ' A' ' 134' ' ' LYS . 11.9 tt0 -67.2 -16.12 64.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.99 -179.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.48 -18.14 61.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.32 175.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 89.5 mt -94.17 -22.19 18.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.776 ' HD2' ' HG3' ' A' ' 131' ' ' GLU . 97.9 mttt -60.92 -54.1 49.2 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.328 0.585 . . . . 0.0 110.96 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.745 ' HG3' ' HB2' ' A' ' 139' ' ' SER . 3.5 ttp180 -90.08 15.99 9.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.396 -166.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -77.97 98.65 5.75 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.18 -70.2 0.21 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.199 -1.161 . . . . 0.0 110.199 -171.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -157.48 151.5 24.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 172.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.745 ' HB2' ' HG3' ' A' ' 135' ' ' ARG . 16.3 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.494 -0.765 . . . . 0.0 109.75 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 14.2 t0 . . . . . 0 C--O 1.235 0.315 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.513 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 18.7 tpp -70.41 -32.6 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.758 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -66.86 -41.9 86.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.152 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 21.4 tp -50.68 -59.8 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.031 174.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.4 mm-40 -61.32 -33.86 74.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.441 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -64.24 -54.19 37.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.23 -177.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.46 -25.04 67.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.4 -44.64 67.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.531 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 36' ' ' GLU . 58.6 t -64.18 -47.85 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.114 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 37' ' ' ALA . 79.1 t -54.36 -43.96 64.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.596 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -66.56 -38.85 87.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.419 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -75.62 -35.93 60.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.405 -170.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -105.53 8.67 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.42 -29.24 68.86 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -70.1 -22.55 63.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -172.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.13 8.44 42.99 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -171.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.522 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 34.8 m -140.35 -177.06 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -80.22 -55.58 4.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.158 0.504 . . . . 0.0 110.154 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -153.43 136.62 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.138 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.7 ttt -138.12 135.42 35.73 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -160.99 157.67 26.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.721 0.296 . . . . 0.0 110.466 -175.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.19 137.38 23.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.075 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.3 m -68.82 115.54 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.218 0.532 . . . . 0.0 110.587 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 75.3 tttt -96.6 3.68 52.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.497 -176.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -104.61 12.56 32.88 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.347 -173.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -135.12 -93.82 0.28 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.696 -176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -176.76 159.43 1.79 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.408 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.5 p -164.88 112.89 1.04 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -143.6 89.65 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.058 -174.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 33' ' ' MET . 32.1 m-20 68.13 -71.28 0.11 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.061 168.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -80.27 -28.55 38.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.081 0.467 . . . . 0.0 111.204 -175.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -135.18 138.28 48.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.082 0.467 . . . . 0.0 111.365 -173.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.34 133.02 20.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.998 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -94.69 128.97 41.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.066 0.46 . . . . 0.0 110.739 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.0 mt -119.44 155.86 21.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.445 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -128.51 139.14 52.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.065 0.46 . . . . 0.0 110.056 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.78 131.97 66.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.932 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.522 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 45.7 tt0 -120.94 108.96 14.51 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.166 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.491 HG21 ' HB2' ' A' ' 115' ' ' SER . 68.8 p -72.22 -179.23 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.836 -173.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HD3' ' HB1' ' A' ' 117' ' ' ALA . 7.2 mtpm? -67.87 -25.53 65.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.112 -175.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -94.42 18.06 11.88 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.941 0.401 . . . . 0.0 110.642 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.88 7.36 5.45 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.409 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -72.13 132.74 44.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HD3' ' HB2' ' A' ' 92' ' ' PHE . 99.3 mtt180 -113.92 136.22 53.13 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.099 0.476 . . . . 0.0 111.222 -174.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -129.72 132.7 46.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.31 175.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.0 t -103.39 129.75 50.55 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 67.6 mt -118.45 128.69 54.84 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.129 0.49 . . . . 0.0 111.45 -171.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -93.65 98.35 11.08 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.513 ' HG ' ' SD ' ' A' ' 33' ' ' MET . 40.1 tp -81.23 121.95 26.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.91 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -142.84 -174.92 4.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.935 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -13.75 62.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.842 0.354 . . . . 0.0 110.962 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.28 -3.28 58.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.513 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.71 -147.0 16.61 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.834 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.462 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.2 mp -104.04 114.48 28.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 0.0 110.082 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.752 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 55.3 tttt -112.71 113.14 25.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.541 -176.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.646 HG13 ' HB ' ' A' ' 101' ' ' THR . 4.0 p -66.27 123.55 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.021 0.439 . . . . 0.0 109.952 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.508 ' HB ' HG13 ' A' ' 95' ' ' VAL . 6.2 m -119.32 4.63 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.435 -177.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.576 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -177.19 160.01 26.67 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.505 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -121.16 29.48 7.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.436 0.636 . . . . 0.0 110.138 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 94' ' ' GLN . . . -147.27 167.08 25.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.449 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.536 ' HB2' ' HD3' ' A' ' 75' ' ' ARG . 35.2 t80 -69.24 116.67 9.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.728 0.299 . . . . 0.0 110.903 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 65.14 30.97 11.26 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.903 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.797 ' HA ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -99.26 112.37 24.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.223 178.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.508 HG13 ' HB ' ' A' ' 88' ' ' VAL . 95.6 t -131.96 116.01 28.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.152 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.628 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 25.8 t70 -106.93 137.13 45.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.329 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.76 -10.15 59.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.29 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -104.1 1.57 31.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.628 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 19.6 mt -76.24 112.95 13.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.377 0.608 . . . . 0.0 110.981 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.14 30.46 1.9 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.273 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.646 ' HB ' HG13 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -66.02 132.88 94.69 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.619 -178.639 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.04 136.94 54.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.221 2.614 . . . . 0.0 113.936 -173.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.752 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 1.2 p90 -92.04 144.24 25.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.566 175.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -106.31 168.97 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.612 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.514 ' HG3' HG23 ' A' ' 106' ' ' THR . 16.8 tp10 -69.44 -64.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.903 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.514 HG23 ' HG3' ' A' ' 105' ' ' GLU . 81.4 p -118.26 176.63 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 -177.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.1 p -71.51 -26.84 27.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.348 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -65.15 -58.82 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.61 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.2 m -69.62 -4.19 18.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.667 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 54.9 tp -96.62 -60.76 1.54 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 0.0 110.812 177.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 114' ' ' LEU . 18.0 tp -69.0 -20.28 64.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.121 -173.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.15 -25.67 65.39 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 122.249 1.024 . . . . 0.0 108.981 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.89 -19.61 18.72 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.543 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 89.7 mt -84.49 -29.93 25.61 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.271 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.491 ' HB2' HG21 ' A' ' 70' ' ' THR . 38.6 t -145.19 116.4 5.13 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.391 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.14 -25.63 72.87 Favored 'Trans proline' 0 CA--C 1.527 0.13 0 C-N-CA 122.523 2.149 . . . . 0.0 111.309 175.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.44 ' HB1' ' HD3' ' A' ' 71' ' ' LYS . . . -66.44 -33.06 74.87 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.574 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -60.97 -38.82 87.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.072 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -67.69 -41.69 83.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.33 -37.55 83.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.338 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.42 -39.12 93.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.541 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 85.3 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.996 175.819 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.599 ' HB2' ' CB ' ' A' ' 35' ' ' LEU . 2.8 m-20 . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.659 0.266 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.8 tpp -65.7 -32.13 73.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.243 0.544 . . . . 0.0 110.155 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.52 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -72.38 -32.49 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.93 178.398 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.599 ' CB ' ' HB2' ' A' ' 32' ' ' ASP . 17.7 tp -57.08 -57.06 14.21 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.639 176.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.27 -34.16 77.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.474 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -61.45 -51.69 67.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.465 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.71 -40.47 92.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.226 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.26 74.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.279 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.77 -41.56 85.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.739 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 42.0 t -53.88 -37.49 33.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.309 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -29.37 37.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.844 0.354 . . . . 0.0 111.521 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -80.34 -48.8 12.42 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -172.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -100.44 5.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.739 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 7.3 tt -62.08 -27.71 69.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 110.251 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.58 -19.79 65.12 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.307 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 118' ' ' TYR . . . -88.01 -22.89 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.197 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.528 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 26.9 m -122.45 -168.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.69 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -93.89 -48.93 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.119 0.485 . . . . 0.0 110.979 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -144.77 145.05 31.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.342 -173.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.524 ' HG2' HG23 ' A' ' 68' ' ' VAL . 73.1 mtp -142.7 116.45 9.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -145.17 134.25 22.67 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.854 HG12 HG12 ' A' ' 66' ' ' ILE . 19.5 m -73.51 153.5 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.84 0.352 . . . . 0.0 111.059 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.451 ' HB3' ' OD1' ' A' ' 93' ' ' ASP . 15.1 m -72.29 167.49 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.268 -175.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.488 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 14.1 tmtt? -130.77 -23.1 2.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -177.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.0 m -91.09 16.1 10.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.413 0.625 . . . . 0.0 110.428 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mp -127.84 -102.7 0.33 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.104 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -174.91 150.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 110.356 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 p -141.51 78.79 1.65 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.572 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.1 22.52 5.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.227 -172.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' A' ' 34' ' ' ARG . 38.6 m-20 74.62 -4.96 2.22 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.429 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -96.85 -26.92 14.92 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 169.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.6 p -142.68 147.19 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.199 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.13 125.4 11.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.685 0.279 . . . . 0.0 110.897 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -99.06 123.18 43.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.381 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.854 HG12 HG12 ' A' ' 53' ' ' VAL . 40.3 mt -115.05 133.63 60.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.56 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.442 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 13.4 m120 -103.08 116.56 32.74 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.524 HG23 ' HG2' ' A' ' 51' ' ' MET . 7.7 p -114.25 128.96 71.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.54 -175.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.6 tt0 -109.14 114.07 27.46 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.853 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.0 p -65.03 173.19 2.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.131 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 97.4 mttt -80.13 -1.14 38.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.312 0.577 . . . . 0.0 111.054 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -96.03 7.42 46.44 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 ttt-85 63.69 15.7 9.16 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.748 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -83.24 112.06 19.52 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.457 ' HD3' ' CE2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -97.08 140.43 31.61 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.899 -174.104 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 82.8 m-85 -131.43 161.11 33.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.747 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.0 m -109.62 121.96 46.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.164 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.429 HD22 HD21 ' A' ' 110' ' ' LEU . 71.9 mt -110.13 126.86 54.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.814 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -94.77 106.35 18.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.084 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.414 HD13 ' HG ' ' A' ' 85' ' ' LEU . 62.8 tp -90.98 121.81 33.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.662 -177.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -137.81 -173.41 3.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.19 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.87 -8.78 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.097 0.475 . . . . 0.0 110.454 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.53 -17.68 35.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.149 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.46 -160.29 23.04 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.209 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.414 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.8 mp -101.76 115.92 31.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.879 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 26.4 tttm -113.39 115.91 28.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.818 -176.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.66 131.09 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.205 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.484 ' HB ' HG13 ' A' ' 95' ' ' VAL . 16.3 m -124.52 -5.86 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.59 175.81 47.2 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 119.663 -1.256 . . . . 0.0 113.194 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -131.06 66.88 1.53 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.3 0.572 . . . . 0.0 110.614 -179.504 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' HA ' ' HG3' ' A' ' 75' ' ' ARG . . . -174.91 -155.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.233 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.457 ' CE2' ' HD3' ' A' ' 75' ' ' ARG . 48.5 m-85 -108.63 128.05 54.5 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' A' ' 54' ' ' SER . 10.9 m-20 59.71 28.55 18.02 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.618 0.574 . . . . 0.0 111.392 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 6.3 tp-100 -104.75 103.85 13.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 -176.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.484 HG13 ' HB ' ' A' ' 88' ' ' VAL . 94.9 t -117.4 117.49 55.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.469 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.509 ' HB3' HD13 ' A' ' 99' ' ' LEU . 47.9 t0 -125.0 137.64 54.24 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.533 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -85.75 0.4 52.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.946 0.403 . . . . 0.0 110.347 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.409 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 34.3 m-70 -82.84 -11.95 57.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.338 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 96' ' ' ASP . 7.9 mp -92.28 112.41 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.007 0.432 . . . . 0.0 110.765 176.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -100.18 28.44 4.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.313 176.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.31 118.1 36.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.387 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.85 145.27 90.29 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.896 2.398 . . . . 0.0 112.588 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.879 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 10.0 p90 -80.8 148.23 30.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.872 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -107.92 143.9 35.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -72.78 -2.27 19.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.002 0.43 . . . . 0.0 111.6 -172.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 109' ' ' SER . 0.0 OUTLIER -155.01 147.54 24.17 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.349 -176.71 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.84 -24.43 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.708 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -71.58 -45.75 61.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.009 0.433 . . . . 0.0 110.361 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.488 ' HB3' HG23 ' A' ' 106' ' ' THR . 26.3 t -67.1 -22.88 65.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.963 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.514 ' O ' HG22 ' A' ' 113' ' ' THR . 58.3 tp -86.96 -54.08 4.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.352 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.68 -21.81 66.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.9 0.381 . . . . 0.0 110.723 -175.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.65 -39.5 80.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.885 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 110' ' ' LEU . 11.3 t -91.84 -10.78 38.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 -176.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.2 mt -92.91 -24.54 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.539 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.431 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 50.2 m -148.58 123.57 4.99 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.756 0.312 . . . . 0.0 111.779 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 21.8 Cg_endo -64.13 -25.39 65.62 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.151 1.9 . . . . 0.0 110.626 170.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.569 ' HA ' ' HB2' ' A' ' 120' ' ' GLU . . . -65.9 -22.13 66.49 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.802 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.47 ' HA ' ' HB1' ' A' ' 47' ' ' ALA . 68.3 t80 -64.15 -40.65 96.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.427 0.632 . . . . 0.0 109.466 174.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -80.33 -30.5 38.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.738 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 117' ' ' ALA . 1.2 mp0 -60.71 -51.9 67.38 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.992 169.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.41 97.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.179 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 63.7 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.291 . . . . 0.0 110.387 179.803 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.588 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 66.0 t0 . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.514 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 22.9 ttm -77.14 -18.83 57.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.15 0.5 . . . . 0.0 109.881 -177.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.56 ' HB3' ' OD1' ' A' ' 32' ' ' ASP . 22.3 ttp180 -66.64 -29.92 70.07 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 172.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.588 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 5.5 tp -67.29 -50.5 60.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.774 173.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 40' ' ' VAL . 6.2 mm-40 -57.69 -30.72 65.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.845 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -64.93 -54.65 27.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.263 -175.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.93 -26.71 68.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.796 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.67 -46.11 63.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.505 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 44' ' ' VAL . 55.5 t -63.94 -45.07 97.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.582 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 54.8 t -52.25 -41.3 33.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.515 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.78 -29.59 56.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -78.68 -53.46 7.13 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 40' ' ' VAL . 33.4 m -84.22 4.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.874 0.369 . . . . 0.0 111.306 -174.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 39.0 tp -60.46 -23.29 64.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.892 178.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -70.99 -24.71 62.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.992 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 118' ' ' TYR . . . -85.68 -21.49 28.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 111.214 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.643 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 31.2 m -119.3 -168.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.56 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 10.4 t30 -100.95 -37.36 8.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 110.689 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.537 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 9.3 t30 -149.9 153.3 36.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.859 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.582 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 14.6 ttt -162.45 139.04 7.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -160.96 139.89 10.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.481 0.181 . . . . 0.0 110.539 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.631 HG12 HG12 ' A' ' 66' ' ' ILE . 15.4 m -77.53 122.48 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.583 ' HB2' HD12 ' A' ' 57' ' ' LEU . 54.7 m -70.72 128.31 35.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.04 0.448 . . . . 0.0 111.865 -171.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.74 -7.48 59.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.788 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 m -94.54 4.79 53.41 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.536 0.684 . . . . 0.0 109.575 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' A' ' 65' ' ' TYR . 68.0 mt -122.75 -163.56 1.11 Allowed 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.164 -175.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.464 ' HB3' ' CD2' ' A' ' 65' ' ' TYR . 16.0 tpt180 -110.3 138.77 46.24 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.876 -171.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 4.6 p -157.75 84.21 0.89 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.31 0.576 . . . . 0.0 110.164 174.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.24 -64.47 1.16 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.541 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.85 -56.54 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.554 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -89.45 2.8 54.02 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.059 0.457 . . . . 0.0 110.943 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.6 p -141.6 129.4 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.558 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.23 119.06 13.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.256 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.728 ' HB3' HD13 ' A' ' 57' ' ' LEU . 47.6 m-85 -86.46 113.81 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.125 0.488 . . . . 0.0 110.829 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.631 HG12 HG12 ' A' ' 53' ' ' VAL . 41.7 mt -117.74 145.35 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.455 -175.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.454 ' OD1' ' HA ' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -113.05 133.87 54.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.025 0.44 . . . . 0.0 110.389 174.588 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 p -126.69 141.01 47.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.141 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.643 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.2 tt0 -129.08 110.81 12.35 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.417 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.468 HG21 ' HB2' ' A' ' 115' ' ' SER . 53.1 p -66.34 178.19 1.28 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.164 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HA ' ' HB2' ' A' ' 49' ' ' ASN . 97.1 mttt -69.89 -21.74 63.29 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.164 0.507 . . . . 0.0 110.074 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -75.87 -2.59 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.774 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 60.38 33.8 20.71 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.397 -173.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -92.03 117.83 30.2 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -96.59 130.3 43.81 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.945 0.402 . . . . 0.0 111.557 -169.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -120.36 144.92 47.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.824 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 38.7 t -110.43 123.62 50.22 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 175.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 67.5 mt -121.23 130.43 53.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.083 0.468 . . . . 0.0 111.757 -172.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.425 ' HG2' HG23 ' A' ' 81' ' ' THR . 35.4 tt0 -94.26 101.22 13.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.514 ' HG ' ' SD ' ' A' ' 33' ' ' MET . 64.1 tp -84.03 107.87 16.64 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.063 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.425 HG23 ' HG2' ' A' ' 79' ' ' GLU . 38.0 p -126.51 178.72 5.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.014 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -69.83 -15.23 63.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.159 0.504 . . . . 0.0 109.822 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.35 -5.22 59.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.81 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.3 -165.27 12.25 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.933 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.6 mp -98.79 125.59 44.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.899 0.38 . . . . 0.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -114.93 120.55 40.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.54 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -73.54 109.33 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.427 0.632 . . . . 0.0 110.603 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.459 HG21 HG22 ' A' ' 95' ' ' VAL . 6.3 m -100.77 12.03 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.533 -175.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.03 172.41 22.01 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.587 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -130.01 72.19 1.48 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.975 0.893 . . . . 0.0 110.572 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.53 160.37 10.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.327 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.454 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -72.96 116.57 13.63 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.07 0.462 . . . . 0.0 111.005 -175.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 69.63 29.39 4.24 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.082 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -103.87 123.68 47.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.947 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.459 HG22 HG21 ' A' ' 88' ' ' VAL . 56.7 t -132.29 108.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.825 0.345 . . . . 0.0 110.767 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.529 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 9.6 t70 -94.26 116.78 29.22 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -82.54 -3.74 56.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.009 -172.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -101.73 4.92 41.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.005 0.431 . . . . 0.0 110.84 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.529 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 73.5 mt -82.04 123.0 28.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.045 173.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -103.72 31.34 4.49 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.246 0.546 . . . . 0.0 109.937 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.488 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 5.3 p -50.23 133.51 24.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.635 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 26.9 Cg_exo -62.66 145.99 95.2 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.109 2.54 . . . . 0.0 112.724 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -81.95 151.13 27.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.423 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -121.89 139.25 53.88 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.85 -63.09 1.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.37 0.419 . . . . 0.0 111.485 -171.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.5 p -106.43 154.5 20.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.939 0.399 . . . . 0.0 111.611 -177.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.14 -30.62 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.922 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -69.04 -47.92 64.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.598 -176.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.9 m -63.93 -31.92 73.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.676 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.93 -52.22 15.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.3 tp -60.72 -28.32 68.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.206 0.527 . . . . 0.0 110.02 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.12 -37.48 87.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.307 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.9 p -83.67 -10.35 58.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.666 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.7 mt -114.36 -17.28 11.83 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -169.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.468 ' HB2' HG21 ' A' ' 70' ' ' THR . 33.4 t -146.66 129.66 8.04 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.085 0.469 . . . . 0.0 111.763 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.86 -18.86 27.81 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.702 2.268 . . . . 0.0 111.598 173.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -68.18 -29.8 68.75 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.491 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.443 ' HA ' ' HB1' ' A' ' 47' ' ' ALA . 68.7 t80 -61.32 -42.85 99.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.804 174.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -73.64 -26.46 60.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.733 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.75 -58.33 6.56 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.31 69.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.556 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 75.7 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.499 178.222 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 CA--C 1.518 -0.286 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.3 tpp -62.89 -19.98 64.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.618 0.723 . . . . 0.0 109.284 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -56.17 -32.82 64.67 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.15 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.73 -50.64 41.51 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.196 0.522 . . . . 0.0 109.994 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.61 -28.99 70.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.625 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -64.25 -50.77 66.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.454 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.75 -29.56 69.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.999 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.36 92.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.012 0.434 . . . . 0.0 109.921 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.439 HG13 HG21 ' A' ' 107' ' ' VAL . 73.1 t -62.34 -46.98 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.848 175.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 37' ' ' ALA . 58.3 t -52.3 -51.82 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.604 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -80.63 2.2 26.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.997 -174.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -100.92 -52.3 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.988 0.423 . . . . 0.0 110.485 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -89.16 2.48 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.733 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 66.6 tp -56.89 -35.88 69.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.221 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -79.63 -7.59 58.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.983 0.421 . . . . 0.0 111.166 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.56 -13.67 21.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.128 0.49 . . . . 0.0 110.834 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.1 m -122.71 -168.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.598 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.402 ' ND2' ' HA ' ' A' ' 71' ' ' LYS . 87.5 m-20 -98.02 -38.84 9.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.77 0.319 . . . . 0.0 111.079 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.549 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 50.1 t30 -145.37 148.44 33.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.519 ' HG2' HG23 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -164.9 118.62 1.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -175.034 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -162.7 162.93 27.1 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.781 0.324 . . . . 0.0 111.117 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.99 149.59 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.429 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.633 ' HA ' HD22 ' A' ' 67' ' ' ASN . 41.0 m -62.98 149.02 45.88 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.955 0.407 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -112.85 -13.09 13.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.394 -174.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.2 m -104.99 11.72 33.13 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.826 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mp -135.94 -157.2 0.77 Allowed 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.27 0.557 . . . . 0.0 110.131 -176.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -136.26 157.11 47.6 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.88 -174.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.1 p -112.27 91.17 3.56 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.81 80.96 5.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.588 -173.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.77 -83.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.06 0.85 . . . . 0.0 111.761 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.582 ' O ' ' HA ' ' A' ' 81' ' ' THR . 25.5 t70 -85.63 -22.45 27.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -171.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -105.3 126.97 60.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.282 0.563 . . . . 0.0 111.507 -176.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.26 118.88 19.09 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.39 173.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 82.1 m-85 -87.21 133.78 33.62 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.2 mt -129.96 144.86 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.426 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.633 HD22 ' HA ' ' A' ' 54' ' ' SER . 58.7 m-80 -105.35 139.09 40.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.391 . . . . 0.0 110.177 174.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.519 HG23 ' HG2' ' A' ' 51' ' ' MET . 7.4 p -133.14 134.13 57.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.061 0.458 . . . . 0.0 110.616 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 50' ' ' ASN . 36.1 tt0 -117.5 102.5 9.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.072 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.508 HG21 ' HB3' ' A' ' 115' ' ' SER . 74.1 p -70.51 -177.26 1.44 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.487 -175.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.402 ' HA ' ' ND2' ' A' ' 49' ' ' ASN . 57.0 mttm -77.97 -20.61 52.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.844 0.354 . . . . 0.0 111.115 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.56 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 1.3 mp0 -84.54 3.04 38.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 171.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 64.45 35.24 9.67 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.087 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.56 ' ND2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 m-80 -89.76 132.4 35.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 172.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -95.59 135.09 37.7 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 177.496 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.471 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 87.9 m-85 -129.41 142.03 50.9 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.778 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.0 m -104.36 119.76 39.68 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.483 HD22 HD21 ' A' ' 110' ' ' LEU . 58.6 mt -111.32 133.94 53.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.28 0.562 . . . . 0.0 111.402 -173.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 32.6 tt0 -100.95 98.27 8.76 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.037 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.517 HD13 ' HG ' ' A' ' 85' ' ' LEU . 57.7 tp -87.07 118.65 26.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.582 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 21.0 p -140.52 -172.21 3.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.375 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.44 -24.63 56.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.941 0.401 . . . . 0.0 111.075 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.95 0.84 56.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.567 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.21 -146.04 16.37 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.894 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.517 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.1 mp -107.14 123.03 47.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.453 0.644 . . . . 0.0 110.948 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 103' ' ' TYR . 62.7 tttt -113.89 150.82 33.1 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.781 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.676 ' HB ' ' OG1' ' A' ' 101' ' ' THR . 66.0 t -97.56 125.05 50.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.547 ' HB ' HG13 ' A' ' 95' ' ' VAL . 25.0 m -114.02 4.39 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.755 0.312 . . . . 0.0 111.643 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.505 ' HA2' HD22 ' A' ' 99' ' ' LEU . . . 163.4 165.67 20.94 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.101 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -125.75 75.71 1.51 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.009 0.909 . . . . 0.0 110.539 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.418 ' HB3' ' CB ' ' A' ' 94' ' ' GLN . . . -166.11 -173.95 2.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.387 -1.279 . . . . 0.0 108.355 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -93.07 110.0 21.48 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 55.83 69.57 0.72 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.932 -174.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.418 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 9.2 tp-100 -143.9 104.48 4.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.247 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.547 HG13 ' HB ' ' A' ' 88' ' ' VAL . 85.6 t -105.67 121.58 58.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.012 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -124.88 125.21 43.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.144 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.52 -4.43 26.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.827 -176.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -77.17 -19.11 57.24 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.505 HD22 ' HA2' ' A' ' 89' ' ' GLY . 7.8 mp -103.78 111.67 24.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.689 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.12 37.3 4.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.892 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.676 ' OG1' ' HB ' ' A' ' 87' ' ' VAL . 2.2 p -48.48 138.76 11.36 Favored Pre-proline 0 C--O 1.234 0.256 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.633 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -52.67 138.56 58.87 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.89 3.06 . . . . 0.0 113.613 -171.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.536 ' CD2' ' HB2' ' A' ' 86' ' ' LYS . 70.2 m-85 -62.77 129.41 40.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.049 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -97.01 144.43 26.91 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 121.049 -0.261 . . . . 0.0 110.41 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.05 -42.61 84.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.037 -172.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 61.8 p -130.34 162.22 29.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.518 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.439 HG21 HG13 ' A' ' 40' ' ' VAL . 11.4 p -69.66 -26.84 31.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 109.723 175.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -64.72 -48.53 74.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.953 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 113' ' ' THR . 27.2 t -68.45 -29.13 67.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.655 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.483 HD21 HD22 ' A' ' 78' ' ' LEU . 35.4 tp -72.36 -57.85 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.505 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.66 -24.5 67.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.7 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.42 -33.21 75.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.764 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 109' ' ' SER . 63.1 p -86.92 -10.05 54.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.364 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.6 mt -113.59 -28.38 7.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -171.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.508 ' HB3' HG21 ' A' ' 70' ' ' THR . 20.0 p -137.29 126.7 15.3 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.574 0.226 . . . . 0.0 111.065 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -73.08 -23.97 17.67 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.765 2.31 . . . . 0.0 112.946 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.91 -6.14 58.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.674 0.274 . . . . 0.0 111.113 -177.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.31 -50.98 69.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.156 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.92 -24.87 65.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.149 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -80.56 -37.99 30.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.94 -0.28 50.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.279 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.9 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.953 -179.672 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.722 ' HA ' ' HA ' ' A' ' 61' ' ' ASP . 45.1 m-20 . . . . . 0 C--O 1.234 0.283 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 33.4 tpp -71.77 -24.54 61.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.595 ' HD3' ' SG ' ' A' ' 59' ' ' CYS . 11.5 mmm180 -56.31 -38.48 71.33 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.448 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.549 ' HG ' ' HB2' ' A' ' 32' ' ' ASP . 5.8 mt -62.94 -57.09 11.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.313 0.577 . . . . 0.0 110.434 -176.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -68.0 -24.06 65.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.093 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -65.92 -52.02 53.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.2 -31.56 72.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.594 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.06 90.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.242 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.79 -47.17 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.738 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 51' ' ' MET . 76.7 t -53.42 -47.0 59.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.329 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -86.46 4.71 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.891 0.377 . . . . 0.0 111.564 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -101.37 -50.85 3.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.634 0.254 . . . . 0.0 111.067 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -104.38 17.38 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.48 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 51.8 tp -52.78 -37.28 59.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.125 -177.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -74.67 -14.68 60.78 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.504 ' O ' ' HE2' ' A' ' 71' ' ' LYS . . . -77.0 -24.66 52.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.191 0.519 . . . . 0.0 110.768 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.555 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.0 m -125.54 -167.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.799 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -76.78 -55.88 5.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -165.18 158.7 16.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.312 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.542 ' HB2' HG13 ' A' ' 41' ' ' VAL . 85.3 mtp -130.16 141.26 50.68 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -142.87 130.03 20.84 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.465 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.55 HG12 HG12 ' A' ' 66' ' ' ILE . 9.0 m -69.55 133.07 32.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.832 0.348 . . . . 0.0 110.542 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.416 ' HB3' HD13 ' A' ' 57' ' ' LEU . 35.7 m -63.42 142.8 58.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.865 -173.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -123.69 6.22 8.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.432 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 m -109.7 0.07 18.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.342 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD13 ' HB3' ' A' ' 54' ' ' SER . 4.9 mp -120.83 -93.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.316 -174.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -169.3 159.45 8.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.595 ' SG ' ' HD3' ' A' ' 34' ' ' ARG . 11.6 p 176.74 155.94 0.26 Allowed 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 123.798 0.686 . . . . 0.0 110.38 171.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -172.36 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.316 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.722 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 22.0 p-10 -121.95 -52.78 1.98 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.643 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -83.78 -41.39 17.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.172 0.51 . . . . 0.0 111.201 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 59' ' ' CYS . 3.7 p -111.91 139.89 34.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.584 -171.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.81 111.03 3.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.009 173.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -86.02 130.86 34.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.55 HG12 HG12 ' A' ' 53' ' ' VAL . 49.7 mt -126.95 132.33 70.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.56 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -97.88 120.23 37.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.1 p -112.24 123.71 68.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.942 0.401 . . . . 0.0 110.566 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.555 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 8.3 tp10 -106.85 115.44 30.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.812 177.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.46 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 80.4 p -79.89 170.08 17.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.654 -177.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 47' ' ' ALA . 66.9 mttm -66.06 -17.95 65.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.876 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -88.78 -6.14 57.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.12 23.51 2.66 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.838 0.828 . . . . 0.0 109.899 -175.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -102.19 105.6 16.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.259 173.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.79 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -108.33 150.54 27.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.059 0.456 . . . . 0.0 111.259 -167.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -133.88 149.57 51.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.25 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 69.2 m -100.81 122.49 43.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.421 HD13 HD23 ' A' ' 85' ' ' LEU . 83.2 mt -107.25 131.03 54.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.037 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.406 ' OE1' HG23 ' A' ' 63' ' ' VAL . 5.4 tp10 -93.42 107.26 19.12 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 172.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.4 tp -92.74 111.73 23.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.239 0.543 . . . . 0.0 109.912 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 p -140.42 -166.15 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.909 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.16 -9.87 58.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.992 0.425 . . . . 0.0 110.636 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.15 -4.24 59.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.293 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.78 -146.89 16.13 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.685 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.421 HD23 HD13 ' A' ' 78' ' ' LEU . 5.7 mp -102.91 110.26 22.11 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -113.66 110.21 19.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.028 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.64 127.71 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.162 0.506 . . . . 0.0 110.932 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 95' ' ' VAL . 6.0 m -122.38 4.06 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.117 -175.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.604 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -172.72 158.6 28.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 119.942 -1.123 . . . . 0.0 113.243 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -114.75 18.2 16.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.257 0.551 . . . . 0.0 110.285 -178.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 94' ' ' GLN . . . -142.63 162.7 34.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.363 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -67.39 129.56 40.28 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.493 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 63.67 22.97 13.34 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.011 0.819 . . . . 0.0 111.183 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.604 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 19.7 tp60 -106.18 109.2 21.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.51 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.506 HG22 HG23 ' A' ' 88' ' ' VAL . 60.8 t -131.65 127.66 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.835 0.35 . . . . 0.0 111.012 -177.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.539 ' OD2' ' HB3' ' A' ' 98' ' ' HIS . 5.1 t70 -136.81 113.81 10.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.468 177.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.76 -10.6 59.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.363 0.602 . . . . 0.0 111.087 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.539 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 19.8 t-80 -70.89 -18.52 62.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.008 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.33 115.08 6.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.799 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -93.25 42.44 1.1 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.821 0.82 . . . . 0.0 109.981 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 6.8 p -69.46 138.8 88.97 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.546 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 14.1 Cg_exo -69.11 118.79 5.9 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.766 2.311 . . . . 0.0 111.991 178.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -80.38 162.47 24.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -126.07 155.41 41.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.563 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.72 -59.63 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.57 -172.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.7 p -102.45 158.42 16.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.052 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.6 p -71.84 -26.28 25.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.114 0.483 . . . . 0.0 109.967 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -65.42 -56.19 13.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.502 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.8 p -63.05 -33.47 75.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.719 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 114' ' ' LEU . 45.2 tp -63.58 -58.33 7.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.649 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.72 -18.05 65.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -81.27 -20.48 40.82 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 -177.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 63.7 m -90.3 -15.49 31.1 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 112.546 -2.115 . . . . 0.0 110.387 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 114' ' ' LEU . 3.8 mm? -102.79 -48.99 3.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.324 -174.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.7 m -126.09 133.58 25.08 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.699 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -75.06 -24.7 12.48 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.569 2.179 . . . . 0.0 111.832 176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.71 -8.65 53.69 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.61 -50.78 72.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.413 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -69.2 -23.58 63.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.913 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -67.32 -49.14 65.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.896 176.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.97 58.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.224 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 61.9 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.474 -179.36 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.419 ' OD2' ' HB3' ' A' ' 34' ' ' ARG . 24.3 t70 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.078 0.466 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 30.8 tpp -68.94 -12.58 61.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.04 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.55 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 59.6 ttp85 -71.09 -23.1 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.457 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.02 -45.45 77.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 mm-40 -63.15 -30.37 71.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.3 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -69.1 -49.15 59.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.409 -178.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 43.6 mm-40 -58.29 -40.75 82.75 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.299 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.12 84.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.795 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.435 ' O ' HG22 ' A' ' 44' ' ' VAL . 74.5 t -64.29 -49.46 80.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.137 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.577 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 73.0 t -56.05 -41.65 69.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.535 -177.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -77.27 -30.72 54.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.86 0.362 . . . . 0.0 111.147 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -75.68 -47.22 27.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.91 -172.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.7 m -106.86 15.5 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.6 tp -55.94 -38.4 70.27 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.944 0.402 . . . . 0.0 111.698 -178.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.551 ' HE2' ' HA ' ' A' ' 122' ' ' PHE . 24.7 p90 -73.15 -10.66 60.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.403 -175.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 118' ' ' TYR . . . -83.88 -21.56 31.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 111.227 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.609 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 31.6 m -119.89 -167.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.376 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -84.54 -58.45 2.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -143.95 160.58 40.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.193 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.0 ttt -163.55 137.27 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.491 0.186 . . . . 0.0 110.694 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -162.34 149.73 13.88 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.492 HG21 ' HG3' ' A' ' 34' ' ' ARG . 7.4 p -61.85 145.87 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.449 ' HB3' HD13 ' A' ' 57' ' ' LEU . 31.6 m -63.02 137.39 58.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.019 0.438 . . . . 0.0 110.502 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -107.87 -4.1 18.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.503 -171.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -110.3 7.83 23.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.017 0.437 . . . . 0.0 110.974 -174.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' A' ' 54' ' ' SER . 5.0 mp -128.97 -148.63 0.38 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.888 -174.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -142.19 161.55 37.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -171.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 24.7 p -132.61 95.35 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.442 0.639 . . . . 0.0 110.099 173.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.05 72.56 5.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.277 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 33' ' ' MET . 0.7 OUTLIER 60.21 -84.9 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.258 -176.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.628 ' O ' ' HA ' ' A' ' 81' ' ' THR . 21.3 t70 -66.33 -34.72 78.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.063 -171.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 6.5 p -107.16 122.4 61.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.987 0.422 . . . . 0.0 111.81 -174.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 33' ' ' MET . . . -134.02 127.38 32.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.021 172.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -89.8 129.81 36.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.047 0.451 . . . . 0.0 110.827 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 56.1 mt -115.66 138.25 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.377 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -104.09 132.1 50.68 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 11.6 p -141.84 141.11 29.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.085 0.469 . . . . 0.0 111.154 -173.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.609 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 44.9 tt0 -123.71 109.06 13.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.19 178.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.544 HG22 ' HB2' ' A' ' 115' ' ' SER . 56.1 p -63.0 170.81 2.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.282 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -74.84 -2.64 27.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.754 0.312 . . . . 0.0 111.303 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -95.93 3.53 53.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 171.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 66.97 15.19 10.1 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.76 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 114.8 17.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 171.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.556 ' HD2' ' HD1' ' A' ' 92' ' ' PHE . 53.8 mtm180 -96.05 136.08 36.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.952 0.406 . . . . 0.0 110.42 -177.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -129.6 148.59 51.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.112 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 98.6 m -108.59 116.86 32.77 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 173.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.442 HD13 HD21 ' A' ' 110' ' ' LEU . 31.1 mt -106.15 132.99 51.56 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.701 -172.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -94.66 101.01 12.85 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 85' ' ' LEU . 63.4 tp -87.12 115.49 24.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.294 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.628 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 9.5 p -124.87 164.88 19.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.036 174.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.04 -26.67 68.66 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.882 0.373 . . . . 0.0 111.012 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.75 -6.49 59.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 139.86 -176.84 20.96 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.204 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.645 HD23 HD13 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -127.42 145.71 50.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.76 0.314 . . . . 0.0 111.083 -178.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.403 ' HG2' ' HD1' ' A' ' 103' ' ' TYR . 0.3 OUTLIER -132.53 160.81 35.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.109 -179.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.1 t -87.59 110.83 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.12 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.535 ' HB ' HG13 ' A' ' 95' ' ' VAL . 17.8 m -109.59 1.55 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.028 0.442 . . . . 0.0 111.589 -178.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.579 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -165.94 162.51 36.0 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.015 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -137.76 45.8 2.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.703 0.763 . . . . 0.0 110.5 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -150.27 -167.59 2.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.544 176.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.556 ' HD1' ' HD2' ' A' ' 75' ' ' ARG . 4.9 t80 -95.12 104.44 16.32 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.84 62.92 1.19 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.23 -174.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.579 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 21.2 tm0? -143.71 115.53 8.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.497 -176.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.535 HG13 ' HB ' ' A' ' 88' ' ' VAL . 71.1 t -123.47 116.29 47.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.682 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.546 ' HB3' HD13 ' A' ' 99' ' ' LEU . 33.9 t70 -107.46 141.28 39.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.238 0.542 . . . . 0.0 111.349 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.93 -22.9 65.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.256 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.401 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 54.7 m80 -84.75 -8.87 58.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -170.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.546 HD13 ' HB3' ' A' ' 96' ' ' ASP . 8.5 mp -77.65 109.39 11.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.265 0.555 . . . . 0.0 110.61 175.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -107.09 70.75 0.81 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.21 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 13.1 p -93.54 157.14 38.97 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.55 -174.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 3.3 Cg_exo -80.53 -166.15 0.39 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.99 2.46 . . . . 0.0 111.307 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.403 ' HD1' ' HG2' ' A' ' 86' ' ' LYS . 10.7 m-85 -107.32 167.74 9.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.284 0.564 . . . . 0.0 111.087 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -134.58 143.16 47.21 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 164.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.45 -61.25 1.99 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.231 0.539 . . . . 0.0 110.989 -174.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.0 m -122.95 150.68 42.65 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.503 -172.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.56 -25.67 37.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.871 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -63.91 -49.34 73.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.3 m -65.41 -38.74 90.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.068 0.461 . . . . 0.0 110.661 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.498 HD22 HD13 ' A' ' 85' ' ' LEU . 11.3 tp -63.94 -49.7 71.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.335 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.488 HD11 ' CG1' ' A' ' 48' ' ' VAL . 22.5 tp -62.54 -32.98 74.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -174.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.11 -39.55 93.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.171 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.9 p -67.35 -19.57 65.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.248 0.547 . . . . 0.0 111.073 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 47.7 mt -104.08 -45.38 4.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.149 -175.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.544 ' HB2' HG22 ' A' ' 70' ' ' THR . 22.9 t -125.86 99.0 32.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.297 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.93 -16.11 52.95 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.825 2.35 . . . . 0.0 112.169 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.44 -8.15 53.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.396 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.451 ' HA ' ' HB1' ' A' ' 47' ' ' ALA . 6.6 t80 -57.96 -45.08 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.459 175.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -70.1 -38.92 75.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.247 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.38 -50.35 68.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.941 0.401 . . . . 0.0 110.61 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.88 95.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.183 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.551 ' HA ' ' HE2' ' A' ' 46' ' ' PHE . 73.4 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.047 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.545 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 1.1 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.699 0.285 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.611 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 30.2 tpp -66.47 -18.31 65.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.419 . . . . 0.0 110.86 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.501 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 9.8 mtp180 -68.45 -27.72 66.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.6 -178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 32' ' ' ASP . 6.6 mt -70.44 -46.6 63.55 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 176.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 40' ' ' VAL . 5.3 mm-40 -58.93 -34.67 72.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.114 175.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -67.03 -53.7 28.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.271 -176.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.3 -30.47 70.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.161 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.85 86.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.338 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.498 HG13 HG11 ' A' ' 107' ' ' VAL . 55.0 t -60.31 -45.71 95.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.997 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.662 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 85.0 t -53.08 -57.46 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.829 -177.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -70.46 -27.89 64.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.658 0.266 . . . . 0.0 111.334 -174.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -73.92 -49.18 25.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 m -116.38 19.6 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.662 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 8.4 tt -60.38 -32.78 71.63 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -65.25 -11.82 45.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.531 -175.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HA ' ' CB ' ' A' ' 121' ' ' ALA . . . -86.29 -10.45 54.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.683 0.278 . . . . 0.0 111.261 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.723 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.2 m -134.63 -168.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.149 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -81.96 -47.93 12.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.193 0.52 . . . . 0.0 110.267 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -160.57 154.82 23.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.04 -174.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.639 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 22.4 ttm -153.02 139.25 18.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -157.91 151.36 23.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.529 0.204 . . . . 0.0 110.581 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.0 p -76.86 141.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.369 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.404 ' CB ' HD23 ' A' ' 57' ' ' LEU . 13.9 m -80.84 122.03 26.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.11 0.481 . . . . 0.0 111.476 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -113.78 18.58 17.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.688 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -135.36 18.54 3.38 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -172.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 93' ' ' ASP . 7.1 tp -130.01 -83.95 0.54 Allowed 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 113.302 -1.772 . . . . 0.0 109.832 -162.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.517 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER 173.29 141.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 168.053 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.4 p -145.85 80.19 1.58 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.654 0.74 . . . . 0.0 111.456 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 62' ' ' ASP . . . -86.86 102.44 14.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 169.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.611 ' O ' ' HB2' ' A' ' 33' ' ' MET . 25.8 m-20 -32.67 -16.0 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -164.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 60' ' ' ALA . 9.7 t70 -64.56 -25.61 68.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 119.315 0.961 . . . . 0.0 109.106 166.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.2 p -142.12 142.07 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.233 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.67 123.78 8.81 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 47.0 m-85 -86.25 140.92 29.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.448 0.642 . . . . 0.0 111.404 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 55.2 mt -119.93 134.3 63.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.591 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.797 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 93.9 m-20 -96.29 106.25 18.44 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.911 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.504 ' HB ' ' HG3' ' A' ' 51' ' ' MET . 11.4 p -112.88 135.7 51.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.928 0.394 . . . . 0.0 110.337 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.723 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 26.8 tt0 -115.87 115.74 26.76 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.698 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.8 p -63.34 171.2 2.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -68.24 -14.56 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.715 0.293 . . . . 0.0 111.433 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -93.29 8.99 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.005 0.431 . . . . 0.0 110.292 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 71.64 6.78 5.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.426 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -77.71 122.95 26.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 90' ' ' TYR . 3.4 mtm-85 -96.45 146.4 24.81 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.044 0.449 . . . . 0.0 111.223 -172.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -131.58 114.17 14.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.577 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.439 ' O ' HG22 ' A' ' 88' ' ' VAL . 13.9 t -81.64 108.51 15.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 78.6 mt -100.5 133.01 45.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.143 0.497 . . . . 0.0 111.436 -172.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 41.1 tt0 -93.53 98.82 11.43 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.196 176.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.39 114.63 20.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.851 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.446 HG23 ' HG2' ' A' ' 79' ' ' GLU . 26.1 p -132.94 179.63 6.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.178 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -72.38 -9.15 58.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.02 0.438 . . . . 0.0 110.618 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.34 0.86 46.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.62 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.46 -158.68 14.32 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.693 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' HB2' HD22 ' A' ' 110' ' ' LEU . 6.3 mp -110.51 127.13 55.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.03 0.443 . . . . 0.0 110.579 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.582 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 81.5 tttt -114.58 154.45 28.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.935 -178.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.535 ' HB ' ' OG1' ' A' ' 101' ' ' THR . 50.1 t -103.21 116.06 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 121.95 -0.469 . . . . 0.0 110.146 177.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.499 HG21 HG22 ' A' ' 95' ' ' VAL . 34.6 m -111.01 -11.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -168.96 163.11 36.9 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 119.578 -1.296 . . . . 0.0 113.327 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 75' ' ' ARG . 65.4 m-85 -99.76 11.21 39.83 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.77 173.01 12.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.927 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.797 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 46.2 m-85 -72.02 127.28 32.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.339 -178.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.587 ' HA ' HD22 ' A' ' 57' ' ' LEU . 1.7 m-20 64.14 24.36 13.43 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.227 0.537 . . . . 0.0 110.688 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.468 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 20.8 tp60 -100.86 103.45 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.129 -178.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.499 HG22 HG21 ' A' ' 88' ' ' VAL . 94.5 t -110.1 101.6 12.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.539 ' HB3' HD13 ' A' ' 99' ' ' LEU . 10.7 t70 -101.49 145.09 29.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.709 -173.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.83 -14.2 60.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.199 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -92.87 9.25 36.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.342 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' A' ' 96' ' ' ASP . 6.7 mp -120.41 102.41 8.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.228 0.537 . . . . 0.0 111.824 174.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.22 40.26 3.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.594 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.535 ' OG1' ' HB ' ' A' ' 87' ' ' VAL . 46.7 p -54.75 151.62 14.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.838 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.38 120.5 8.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.905 2.403 . . . . 0.0 112.422 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -84.31 145.36 28.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.103 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -110.49 155.23 22.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.003 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.569 ' HG2' HG23 ' A' ' 106' ' ' THR . 0.0 OUTLIER -67.73 -38.01 82.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.787 -173.272 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.569 HG23 ' HG2' ' A' ' 105' ' ' GLU . 23.5 p -121.68 153.63 37.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.748 0.308 . . . . 0.0 111.429 -176.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.498 HG11 HG13 ' A' ' 40' ' ' VAL . 11.0 p -68.58 -27.12 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -62.19 -56.35 19.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.981 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.9 m -77.42 -3.16 38.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.528 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.443 HD22 ' HB2' ' A' ' 85' ' ' LEU . 51.4 tp -95.98 -55.34 3.01 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.999 -0.438 . . . . 0.0 110.724 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.485 ' HA ' HD12 ' A' ' 114' ' ' LEU . 14.5 tp -62.33 -26.62 68.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.144 0.497 . . . . 0.0 109.88 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.64 -26.89 67.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.198 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 44.6 p -90.87 -2.41 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.347 0.594 . . . . 0.0 110.576 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 111' ' ' LEU . 37.8 mt -110.0 -35.55 6.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.923 -175.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -143.07 111.69 5.61 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.564 0.221 . . . . 0.0 110.945 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.66 -21.79 48.98 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.242 2.628 . . . . 0.0 113.078 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.96 -6.4 38.4 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.656 0.265 . . . . 0.0 111.277 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.42 ' CD1' HD23 ' A' ' 111' ' ' LEU . 77.8 t80 -57.24 -54.9 41.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.531 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -63.45 -41.67 98.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.193 -175.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -62.14 -48.18 81.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.243 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 47' ' ' ALA . . . -61.35 -46.1 91.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.104 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 7.0 m-20 . . . . . 0 CA--C 1.52 -0.19 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.574 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 19.5 tpp -63.14 -34.02 76.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.156 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -37.79 76.55 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.407 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 25.3 tp -58.24 -59.56 5.13 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.882 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.6 mm-40 -61.09 -29.52 69.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.583 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -63.29 -40.84 98.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.259 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -59.68 -45.38 92.25 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.038 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.42 85.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.815 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.547 HG13 HG11 ' A' ' 107' ' ' VAL . 54.7 t -58.45 -52.01 64.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.654 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 37' ' ' ALA . 94.5 t -57.54 -41.15 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.86 -175.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -81.15 -16.4 53.05 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -176.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -91.74 -48.01 7.04 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.513 -176.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 40' ' ' VAL . 32.6 m -94.23 5.74 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 62.8 tp -57.56 -29.23 64.24 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 111.8 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -71.76 -21.35 61.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.338 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.25 -5.68 58.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.917 0.389 . . . . 0.0 111.483 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.657 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.7 m -132.42 -170.8 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.165 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -89.43 -60.07 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.055 0.455 . . . . 0.0 109.861 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.69 156.54 48.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.94 -177.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.2 ttt -166.49 132.36 2.35 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -158.58 154.86 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.936 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.563 HG12 HG12 ' A' ' 66' ' ' ILE . 14.3 m -72.88 131.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.595 ' CB ' HD12 ' A' ' 57' ' ' LEU . 20.3 m -67.13 130.35 42.84 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.315 0.579 . . . . 0.0 111.215 -174.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -105.65 7.46 32.69 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.271 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.464 ' HB3' ' OD1' ' A' ' 93' ' ' ASP . 46.3 t -106.24 -0.81 24.19 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 173.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 65' ' ' TYR . 40.2 mt -114.22 -153.49 0.52 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.057 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.0 ptt-85 -131.9 147.94 52.5 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.997 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.5 m -153.81 151.75 29.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.039 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.84 -77.8 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.334 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.574 ' O ' ' HB2' ' A' ' 33' ' ' MET . 18.1 p30 -148.98 -41.37 0.15 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.21 -175.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.16 -37.31 54.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.16 0.505 . . . . 0.0 111.299 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 p -131.04 147.57 33.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.032 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . . . -142.63 108.66 5.2 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.033 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.633 ' HB3' HD13 ' A' ' 57' ' ' LEU . 42.1 m-85 -86.53 111.44 20.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.056 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.563 HG12 HG12 ' A' ' 53' ' ' VAL . 53.2 mt -117.09 133.39 63.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.037 -176.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -100.34 126.83 46.74 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.4 p -131.37 148.33 32.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.318 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.657 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 35.7 tt0 -134.1 115.39 14.22 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.6 p -64.61 169.43 4.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.74 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -69.89 -13.91 62.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.136 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -86.7 10.89 14.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.586 174.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 67.05 19.45 10.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.149 173.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -103.62 130.25 51.02 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.734 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -103.95 151.89 22.64 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.464 -172.438 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -137.54 144.97 42.37 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.655 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.6 m -101.54 120.15 39.86 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 169.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.517 ' CD2' HG12 ' A' ' 87' ' ' VAL . 60.9 mt -104.02 127.13 51.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.896 0.379 . . . . 0.0 111.034 -175.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -94.39 95.6 8.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.464 HD13 ' HG ' ' A' ' 85' ' ' LEU . 61.5 tp -85.53 118.41 25.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.594 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 p -137.27 -179.13 5.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.343 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -77.14 2.54 14.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.009 0.433 . . . . 0.0 110.382 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.85 0.09 35.01 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.27 -176.79 16.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.296 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.464 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.1 mp -99.87 111.13 23.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.755 0.312 . . . . 0.0 110.363 178.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.613 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 25.3 ttpp -114.64 128.57 56.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.113 178.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.517 HG12 ' CD2' ' A' ' 78' ' ' LEU . 17.7 m -75.02 136.41 25.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.823 0.344 . . . . 0.0 110.097 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.473 HG21 HG22 ' A' ' 95' ' ' VAL . 15.9 m -119.32 -1.52 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.572 -177.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.89 157.82 27.3 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.193 -1.004 . . . . 0.0 112.579 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.19 22.73 12.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.751 0.786 . . . . 0.0 110.219 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.41 -168.46 1.91 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.068 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -92.81 126.0 37.69 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.464 ' OD1' ' HB3' ' A' ' 56' ' ' SER . 35.2 m-20 59.33 52.73 5.74 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.755 0.659 . . . . 0.0 110.97 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -124.23 123.37 40.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.609 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.473 HG22 HG21 ' A' ' 88' ' ' VAL . 93.3 t -128.95 108.71 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.043 0.449 . . . . 0.0 110.844 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.413 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 12.0 t70 -105.01 127.04 52.69 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.315 175.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -90.14 -11.58 40.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.114 0.483 . . . . 0.0 110.928 -174.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -78.73 -31.33 46.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.917 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.413 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 55.9 mt -53.94 120.86 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.863 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.2 86.75 2.41 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 173.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.8 p -107.46 149.26 38.6 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.463 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -65.62 114.05 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.124 1.883 . . . . 0.0 112.896 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.613 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 3.2 p90 -74.84 117.78 17.07 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.291 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -88.15 153.0 21.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.831 -172.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.536 ' HG2' HG23 ' A' ' 106' ' ' THR . 9.5 tt0 -49.75 -61.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 124.746 1.279 . . . . 0.0 111.702 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.536 HG23 ' HG2' ' A' ' 105' ' ' GLU . 5.2 p -130.62 166.2 21.17 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.827 -175.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.547 HG11 HG13 ' A' ' 40' ' ' VAL . 12.5 p -66.8 -27.97 41.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.008 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -66.56 -50.01 64.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.399 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 p -69.25 -36.28 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.45 -51.55 55.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.292 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.472 HD21 HG13 ' A' ' 48' ' ' VAL . 13.5 tp -65.0 -26.04 68.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 0.0 110.063 -176.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.76 -29.19 67.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.983 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.2 p -86.88 -11.43 50.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.355 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.9 mt -114.9 -26.51 7.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.7 t -123.1 103.59 36.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.876 0.369 . . . . 0.0 110.483 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.02 19.52 0.42 Allowed 'Trans proline' 0 N--CA 1.471 0.177 0 C-N-CA 123.415 2.743 . . . . 0.0 112.015 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -119.0 -0.14 11.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.793 172.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -65.04 -47.56 76.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.775 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.665 ' HD3' ' H ' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -62.83 -48.29 79.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.528 0.68 . . . . 0.0 109.713 -179.15 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -58.64 -47.26 85.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.964 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.17 94.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.3 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.281 179.425 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.505 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 12.0 m-20 . . . . . 0 CA--C 1.519 -0.213 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 33.8 tpp -63.52 -32.23 73.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.283 0.563 . . . . 0.0 109.858 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -68.69 -30.42 69.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.814 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.505 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 16.9 tp -67.04 -57.47 6.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.615 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 40' ' ' VAL . 47.2 mm-40 -59.18 -31.92 69.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.17 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -62.66 -48.69 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.81 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.35 -37.48 87.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.4 84.93 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.348 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.512 HG13 HG11 ' A' ' 107' ' ' VAL . 52.8 t -59.54 -49.69 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.164 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.447 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 62.0 t -56.06 -47.45 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.284 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.404 HD22 ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -67.27 -36.84 82.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.818 0.342 . . . . 0.0 110.593 -178.701 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.61 -48.82 65.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.723 -173.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 40' ' ' VAL . 35.9 m -103.5 16.45 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 111.713 -175.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.1 tp -56.75 -35.83 69.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.591 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -76.56 -9.89 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.457 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.32 -14.64 37.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.815 0.34 . . . . 0.0 111.322 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.59 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.0 m -126.88 -172.58 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.326 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -84.27 -54.83 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.248 0.547 . . . . 0.0 109.851 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -141.81 150.42 41.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.757 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.417 ' HB3' HG13 ' A' ' 41' ' ' VAL . 10.2 ttt -156.58 132.78 9.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -153.38 146.63 24.75 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 -177.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 m -68.51 -173.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.404 0.145 . . . . 0.0 111.173 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.842 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.2 m -51.1 111.22 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.234 0.54 . . . . 0.0 111.97 -175.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -82.25 -22.09 35.97 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.037 175.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.45 2.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.776 -173.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.842 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 3.3 mm? -98.87 -154.78 0.47 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.606 0.717 . . . . 0.0 109.55 -174.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 58' ' ' ARG . 5.8 ptp180 -120.99 144.74 48.35 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.636 -1.165 . . . . 0.0 108.479 175.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 10.7 p -163.65 124.92 2.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.23 0.538 . . . . 0.0 110.781 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -163.09 -61.45 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.798 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 33' ' ' MET . 12.1 t70 -122.42 -69.54 0.82 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.595 -161.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.46 -20.46 15.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.654 -174.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 9.9 p -136.81 146.6 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.26 -174.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.492 ' HA ' ' HB3' ' A' ' 59' ' ' CYS . . . -158.77 115.9 2.79 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.116 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CG ' ' HG ' ' A' ' 57' ' ' LEU . 66.9 m-85 -85.69 146.83 26.64 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.153 177.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.472 HD11 ' HB1' ' A' ' 37' ' ' ALA . 55.3 mt -133.1 127.32 54.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.12 0.486 . . . . 0.0 110.307 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.478 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 14.7 m120 -91.03 110.6 21.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.153 177.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.5 p -116.03 138.91 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.227 0.537 . . . . 0.0 111.397 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.59 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.0 tt0 -123.89 105.18 9.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.493 176.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.413 ' HA ' HG12 ' A' ' 48' ' ' VAL . 76.7 p -64.53 165.55 9.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.413 -176.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 68.3 mttm -65.05 -25.93 68.03 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.035 0.445 . . . . 0.0 110.481 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.1 mp0 -73.59 2.12 8.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.673 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 73.84 2.14 4.13 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.626 0.77 . . . . 0.0 110.944 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -76.37 135.1 39.51 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -113.28 128.83 56.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.124 -172.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -119.7 143.83 47.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.189 0.518 . . . . 0.0 111.202 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 37.1 t -104.52 108.41 19.83 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 171.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 88.1 mt -103.44 131.84 50.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.133 0.492 . . . . 0.0 111.574 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -99.33 100.73 11.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.012 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.555 HD13 ' HG ' ' A' ' 85' ' ' LEU . 52.4 tp -86.98 115.47 24.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.063 0.459 . . . . 0.0 110.188 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.0 p -123.34 -179.58 4.37 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.537 -0.756 . . . . 0.0 108.998 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -70.62 -15.29 62.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.429 0.633 . . . . 0.0 109.466 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.43 -21.25 39.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.768 176.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.76 -168.77 24.12 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.754 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.555 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.2 mp -96.85 121.52 38.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -113.05 141.72 46.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.265 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.5 t -86.33 111.98 22.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.6 m -108.61 -1.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.15 155.63 19.62 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.814 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -102.56 23.02 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 110.658 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -150.84 165.47 33.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.592 177.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 24.4 m-85 -70.21 134.01 47.64 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.964 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 65.98 27.68 10.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.323 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -111.88 113.01 25.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.8 t -117.57 99.84 8.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.364 174.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -97.82 127.35 43.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.282 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -85.4 5.44 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.776 -174.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -93.22 -25.22 17.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.0 mt -69.12 125.57 27.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.123 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -114.71 26.95 9.79 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 174.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.19 125.48 50.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.977 -177.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.27 134.81 54.28 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 123.033 2.489 . . . . 0.0 112.804 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -89.88 159.5 16.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.81 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -123.78 142.67 50.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -62.74 -52.69 62.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.727 0.298 . . . . 0.0 111.598 -174.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 56.2 p -106.82 151.65 24.92 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.905 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.512 HG11 HG13 ' A' ' 40' ' ' VAL . 9.6 p -63.82 -28.19 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 177.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -63.67 -54.29 37.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.9 m -72.28 -2.67 19.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.529 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 53.8 tp -97.11 -59.19 1.84 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.956 0.407 . . . . 0.0 110.976 174.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.541 HD23 ' CD1' ' A' ' 118' ' ' TYR . 10.8 tp -73.21 -19.46 61.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.549 -170.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.431 ' OD1' ' HB3' ' A' ' 119' ' ' ARG . 31.9 t70 -82.59 -20.32 36.7 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.895 1.331 . . . . 0.0 107.558 -175.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.1 m -88.52 -16.07 33.61 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 112.734 -2.03 . . . . 0.0 110.003 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 93.0 mt -100.59 -59.88 1.62 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.26 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 65.2 m -102.31 127.03 31.56 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 112.074 -173.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -66.09 -32.86 42.68 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.656 2.237 . . . . 0.0 111.45 172.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.5 -20.56 63.71 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.159 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.541 ' CD1' HD23 ' A' ' 111' ' ' LEU . 66.8 t80 -58.95 -62.59 1.77 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.462 177.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.46 ' HA ' ' HB3' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -67.43 -21.46 65.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -177.001 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.86 -51.35 65.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.758 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.74 -30.81 46.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.946 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.46 ' HB3' ' HA ' ' A' ' 119' ' ' ARG . 57.0 t80 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.593 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 45.6 t0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.497 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 28.6 tpp -69.65 -23.38 63.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.366 0.603 . . . . 0.0 110.278 -177.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HB3' ' OD1' ' A' ' 32' ' ' ASP . 8.7 ttp180 -69.97 -30.96 68.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.863 174.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 16.5 tp -66.81 -53.48 32.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.2 175.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.41 -29.05 65.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.369 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -65.65 -47.79 74.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.352 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.14 -36.73 66.1 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.97 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.43 -53.26 20.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.446 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.491 HG13 HG11 ' A' ' 107' ' ' VAL . 86.4 t -60.64 -43.31 94.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 51' ' ' MET . 46.6 t -53.39 -46.32 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.939 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -91.67 -1.66 57.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 111.163 -174.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -88.37 -41.7 12.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.204 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.54 14.07 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 6.8 tt -57.82 -37.76 74.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.706 -174.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -73.66 -0.27 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.82 -19.13 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.079 0.466 . . . . 0.0 110.253 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 30.3 m -124.81 -167.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.631 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -80.86 -55.25 4.93 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.522 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -163.24 154.7 17.25 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.781 0.324 . . . . 0.0 111.184 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.542 ' HB2' HG13 ' A' ' 41' ' ' VAL . 88.5 mtp -134.96 142.05 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -154.49 138.26 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -178.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.17 138.33 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.828 0.347 . . . . 0.0 111.101 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.408 ' HB3' HD13 ' A' ' 57' ' ' LEU . 4.1 m -72.71 112.31 8.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.036 0.446 . . . . 0.0 110.31 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.55 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 1.7 tmtp? -86.55 -12.99 47.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 -174.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -89.98 3.34 53.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.074 0.464 . . . . 0.0 110.819 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.572 HD21 ' CG2' ' A' ' 95' ' ' VAL . 5.9 mp -120.7 -100.37 0.43 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.862 -175.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -166.65 158.16 12.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 0.0 110.974 -171.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 7.5 p -159.2 73.76 0.61 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.6 172.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.2 -54.18 5.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.93 -170.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.08 -76.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.499 -175.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.585 ' OD1' ' HB2' ' A' ' 82' ' ' GLU . 20.0 t70 -94.56 -15.78 23.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.863 0.363 . . . . 0.0 111.391 -176.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 12.0 p -105.36 128.81 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.175 0.512 . . . . 0.0 111.253 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.91 124.16 11.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.685 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.474 ' CG ' HD22 ' A' ' 57' ' ' LEU . 90.3 m-85 -93.15 129.92 38.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.882 0.372 . . . . 0.0 110.39 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 57.5 mt -119.45 129.83 74.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.961 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -88.34 129.15 35.47 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.128 173.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.523 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.6 p -128.41 119.97 51.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.282 0.563 . . . . 0.0 109.986 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 31.7 tt0 -102.92 111.47 23.82 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.558 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 p -70.7 178.85 2.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.566 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -65.01 -11.43 38.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.941 0.4 . . . . 0.0 110.675 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.75 -16.4 61.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.393 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? 70.69 16.41 6.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.459 -174.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -98.25 135.26 40.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 2.8 mpt_? -97.37 141.86 29.95 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -127.28 142.09 51.55 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 95.1 m -103.85 120.04 40.18 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.118 0.485 . . . . 0.0 110.637 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.1 mt -108.1 131.72 54.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.604 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 44.8 tt0 -93.78 97.82 10.68 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.549 HD13 ' HG ' ' A' ' 85' ' ' LEU . 55.4 tp -84.19 121.43 27.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.937 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 19.4 p -142.93 178.51 7.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.324 -178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.585 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . 35.8 tt0 -56.13 -33.0 64.76 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.371 176.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.61 -7.28 58.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.675 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.79 -160.9 15.06 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.533 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.549 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.4 mp -101.41 127.54 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.695 0.283 . . . . 0.0 110.672 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 31.0 ttmt -116.99 146.78 42.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.16 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.528 ' HB ' HG21 ' A' ' 101' ' ' THR . 56.6 t -90.74 115.14 29.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.541 ' HB ' HG13 ' A' ' 95' ' ' VAL . 21.5 m -117.35 8.79 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -175.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.11 160.66 14.7 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.512 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -125.53 62.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.47 0.653 . . . . 0.0 111.596 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -159.2 -169.37 2.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.998 172.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -96.49 107.15 19.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 66.73 44.5 2.15 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.725 0.641 . . . . 0.0 110.865 -176.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.594 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 24.3 tt0 -129.26 133.76 47.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.881 178.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.572 ' CG2' HD21 ' A' ' 57' ' ' LEU . 94.8 t -124.92 102.79 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.226 0.536 . . . . 0.0 110.682 -177.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.548 ' HB2' HD13 ' A' ' 99' ' ' LEU . 15.0 m-20 -82.41 158.83 23.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.041 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -101.99 -31.87 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -171.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -82.02 -3.6 54.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -170.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 96' ' ' ASP . 8.1 mp -78.39 101.94 7.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.164 0.507 . . . . 0.0 110.515 176.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -104.4 87.34 2.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.556 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.528 HG21 ' HB ' ' A' ' 87' ' ' VAL . 3.9 t -127.09 141.23 40.08 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.57 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.74 169.26 19.29 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.509 2.14 . . . . 0.0 111.806 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.44 152.5 19.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -112.03 141.45 45.69 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -62.82 -61.76 2.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.42 0.45 . . . . 0.0 111.686 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.4 p -100.36 141.45 33.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.011 0.434 . . . . 0.0 111.539 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.491 HG11 HG13 ' A' ' 40' ' ' VAL . 11.2 p -63.45 -25.31 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.502 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -62.49 -54.58 37.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.074 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.2 m -61.74 -38.41 87.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.463 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 51.0 tp -63.76 -56.55 14.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.694 -177.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.461 HD21 HG13 ' A' ' 48' ' ' VAL . 36.0 tp -68.74 -25.43 64.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 111.209 -174.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -81.59 -30.64 32.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.508 1.147 . . . . 0.0 108.154 -175.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 5.1 m -66.07 -28.47 68.86 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 113.191 -1.822 . . . . 0.0 110.468 170.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 87.4 mt -85.76 -63.09 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.669 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.7 p -113.32 109.6 51.37 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.361 -175.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.15 -15.1 37.51 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 123.037 2.491 . . . . 0.0 112.138 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.0 -12.24 47.99 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.76 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -55.65 -49.22 73.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.621 176.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -63.4 -40.8 98.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.231 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -69.09 -40.31 78.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.962 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.75 -46.98 56.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 42.7 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.698 -177.117 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.583 ' OD1' ' HB2' ' A' ' 34' ' ' ARG . 14.6 t70 . . . . . 0 C--O 1.233 0.19 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.0 tpp -66.79 -19.83 65.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.775 -173.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.583 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 48.6 mtt180 -60.64 -35.94 77.43 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.658 0.266 . . . . 0.0 111.046 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.25 -53.81 22.04 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.436 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -61.91 -24.03 66.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.096 176.008 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -72.81 -49.86 27.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.254 177.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.56 -40.89 93.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.183 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.5 -46.47 76.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.971 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 36' ' ' GLU . 68.3 t -65.08 -46.76 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.536 HG13 ' HB2' ' A' ' 51' ' ' MET . 78.8 t -54.66 -42.78 62.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.622 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -80.4 -33.67 36.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.343 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.94 -54.48 29.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.743 -173.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.54 17.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.897 0.379 . . . . 0.0 111.356 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 50.0 tp -55.88 -40.47 73.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.843 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.458 ' CD2' ' HB1' ' A' ' 121' ' ' ALA . 51.7 p90 -77.07 -3.42 39.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.756 -174.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.06 -19.73 29.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.025 0.44 . . . . 0.0 110.306 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.65 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.3 m -126.98 -168.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.222 -176.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.99 -56.99 3.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.106 0.479 . . . . 0.0 110.387 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -155.64 144.35 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.713 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.536 ' HB2' HG13 ' A' ' 41' ' ' VAL . 85.1 mtp -127.18 147.43 50.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.415 175.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -149.04 177.55 9.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -176.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -114.54 131.56 66.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.482 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 17.2 m -69.99 107.04 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.533 0.683 . . . . 0.0 111.012 -175.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -98.82 16.35 22.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.582 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -102.85 1.0 33.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.418 HD13 ' HB3' ' A' ' 54' ' ' SER . 4.8 mp -130.53 -148.38 0.36 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.793 -178.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -116.99 136.82 52.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.962 0.411 . . . . 0.0 110.665 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 64' ' ' ALA . 3.5 p -155.8 117.15 3.92 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.96 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.92 -60.5 0.16 Allowed 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.689 0.757 . . . . 0.0 111.712 -177.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -121.69 -67.3 0.97 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.392 -162.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -98.54 -19.68 17.48 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.871 0.367 . . . . 0.0 111.058 -173.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.3 p -139.0 140.2 38.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.121 -174.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.553 ' HA ' ' HB3' ' A' ' 59' ' ' CYS . . . -142.91 120.05 11.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.891 172.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.482 ' HB2' ' HB2' ' A' ' 54' ' ' SER . 96.8 m-85 -86.53 126.89 34.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.08 132.14 69.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.205 0.526 . . . . 0.0 110.846 -176.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -87.98 125.67 34.66 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.173 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.504 HG13 ' HB2' ' A' ' 76' ' ' TYR . 4.9 p -131.63 115.18 27.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.361 0.601 . . . . 0.0 110.926 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.65 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 34.9 tt0 -101.58 106.27 17.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.654 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.496 ' HA ' HG12 ' A' ' 48' ' ' VAL . 72.4 p -69.7 176.87 3.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.386 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -74.54 3.75 7.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.086 0.47 . . . . 0.0 111.129 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -89.73 -6.19 56.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER 72.35 13.19 5.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.656 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.413 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 58.7 t30 -92.64 131.91 37.34 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.413 ' NH1' ' HA ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -97.55 122.41 40.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.295 -173.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.504 ' HB2' HG13 ' A' ' 68' ' ' VAL . 85.2 m-85 -107.72 150.24 27.18 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.905 0.383 . . . . 0.0 110.604 176.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.4 m -108.66 115.42 30.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.654 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 86.6 mt -102.34 131.01 49.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.925 0.393 . . . . 0.0 111.154 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -93.73 99.21 11.65 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.7 tp -89.02 115.96 26.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.182 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.9 p -132.54 -170.43 2.43 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.004 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.427 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 6.6 pt-20 -78.92 -2.85 41.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.267 0.556 . . . . 0.0 110.47 174.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.24 -6.73 40.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.152 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.14 -156.8 15.42 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.413 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.37 135.21 47.16 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.701 ' HD2' ' HE1' ' A' ' 103' ' ' TYR . 39.6 tttt -140.38 115.91 10.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.094 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.14 118.83 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.323 0.583 . . . . 0.0 110.649 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.586 HG12 ' HE2' ' A' ' 86' ' ' LYS . 17.9 m -113.71 7.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.628 -175.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -174.58 156.13 22.43 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.858 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -124.28 40.37 3.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.91 0.862 . . . . 0.0 110.13 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -139.96 -175.58 4.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.468 172.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -95.9 110.89 23.01 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.41 54.83 1.46 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.747 0.655 . . . . 0.0 110.61 -176.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.573 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 24.4 tt0 -142.99 103.47 4.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.231 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.537 HG13 ' HB ' ' A' ' 88' ' ' VAL . 77.8 t -99.61 117.95 45.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.824 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 30.5 t70 -112.33 144.53 41.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.21 -172.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -70.16 -21.01 63.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.189 -177.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -83.7 -8.18 59.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.129 -0.357 . . . . 0.0 111.136 -173.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.499 ' CD1' ' HB3' ' A' ' 96' ' ' ASP . 4.6 mp -95.17 90.7 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.353 0.597 . . . . 0.0 111.662 177.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -112.85 75.86 0.94 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.928 0.871 . . . . 0.0 109.097 171.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.7 p -89.72 160.69 40.83 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 114.543 -1.208 . . . . 0.0 112.469 -171.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.38 124.28 13.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.703 2.268 . . . . 0.0 112.263 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.701 ' HE1' ' HD2' ' A' ' 86' ' ' LYS . 5.2 m-85 -72.23 130.31 40.5 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.848 -178.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.44 144.57 44.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -74.62 -44.44 50.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.122 0.487 . . . . 0.0 111.513 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.1 p -107.04 138.71 42.69 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.336 -174.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.69 -26.06 38.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.144 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -59.8 -58.03 10.31 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.319 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.2 m -74.32 -3.9 33.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.568 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 113' ' ' THR . 47.0 tp -95.96 -53.65 3.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.919 0.39 . . . . 0.0 110.786 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.452 HD21 HG13 ' A' ' 48' ' ' VAL . 38.2 tp -69.99 -21.02 63.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.983 -175.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.46 -23.83 50.37 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.498 1.142 . . . . 0.0 108.277 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 1.3 m -79.82 -27.78 40.21 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 113.294 -1.775 . . . . 0.0 110.654 173.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.9 mt -83.79 -53.24 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 -176.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.2 t -122.77 116.78 28.96 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 120.765 0.317 . . . . 0.0 110.577 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.21 -21.49 60.12 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 123.139 2.559 . . . . 0.0 112.395 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.86 -11.01 60.06 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.957 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -57.7 -42.07 82.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.559 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -65.07 -32.34 74.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.162 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.62 -43.88 79.35 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.458 ' HB1' ' CD2' ' A' ' 46' ' ' PHE . . . -64.18 -36.45 84.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.525 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.34 177.699 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 11.5 t0 . . . . . 0 C--O 1.233 0.223 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -15.15 60.43 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.505 -175.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -60.36 -43.4 96.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.832 0.349 . . . . 0.0 110.227 179.592 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 4.9 mt -77.85 -38.86 45.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.511 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 5.9 mm-40 -57.59 -29.28 64.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -73.92 -49.99 22.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.249 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 36.4 mt-10 -62.25 -33.95 75.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.972 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.99 73.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.758 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.04 -47.56 93.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 95.5 t -57.61 -49.51 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.603 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.63 -10.29 59.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -172.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -81.46 -44.88 16.82 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.245 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.1 m -112.63 15.11 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.563 -176.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.5 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 6.1 tt -58.21 -34.61 70.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.397 -176.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -75.62 -12.23 60.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.736 0.303 . . . . 0.0 111.452 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.445 ' HA ' ' CB ' ' A' ' 121' ' ' ALA . . . -82.49 -15.81 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.056 0.455 . . . . 0.0 110.782 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.584 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 23.4 m -117.64 -168.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.014 177.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -88.87 -51.05 5.84 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.371 0.605 . . . . 0.0 109.52 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -141.68 155.23 45.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.036 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.432 ' HB3' ' HG ' ' A' ' 45' ' ' LEU . 18.3 ttt -163.87 129.41 2.99 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -161.19 161.08 30.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.744 0.306 . . . . 0.0 110.664 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.5 p -68.49 134.92 29.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 172.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.512 ' CB ' HD23 ' A' ' 57' ' ' LEU . 4.4 m -55.19 -55.44 31.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.66 -174.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 70.62 10.12 7.04 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.681 0.753 . . . . 0.0 110.493 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -118.81 17.39 13.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.934 0.873 . . . . 0.0 109.571 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.608 ' HG ' ' CB ' ' A' ' 65' ' ' TYR . 4.4 mm? -118.64 -148.51 0.42 Allowed 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.547 -177.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.496 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -130.73 96.03 3.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.537 0.684 . . . . 0.0 109.882 175.245 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.4 p -88.27 90.51 8.42 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.134 175.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.37 -76.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.2 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' HA ' ' NH1' ' A' ' 34' ' ' ARG . 17.9 m-20 -155.41 -57.8 0.1 Allowed 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -176.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -105.03 20.51 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.554 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.6 p -143.18 137.85 26.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.342 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.37 132.16 13.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.946 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.608 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 92.5 m-85 -92.64 133.55 35.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.163 0.506 . . . . 0.0 110.915 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 72.9 mt -125.82 136.63 60.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.106 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 92' ' ' PHE . 7.8 m120 -108.82 130.66 55.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.28 0.562 . . . . 0.0 110.801 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.48 138.41 51.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.549 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.584 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 35.2 tt0 -117.1 108.61 15.93 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.364 177.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.0 p -67.47 167.73 12.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.589 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 68.7 mttm -70.05 -4.73 22.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.412 0.625 . . . . 0.0 110.455 177.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 42.6 tt0 -91.22 3.06 55.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.405 177.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 72' ' ' GLU . 80.1 mtt180 70.99 -1.55 2.64 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.459 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -84.12 129.61 34.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -105.26 148.51 26.91 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.892 -172.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 72.1 m-85 -130.64 150.47 51.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.33 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 34.6 t -114.19 117.23 30.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.501 HD22 HD21 ' A' ' 110' ' ' LEU . 80.6 mt -116.14 131.23 57.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 0.0 111.644 -172.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 36.2 tt0 -94.27 111.73 23.49 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.467 175.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -88.18 119.72 28.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.5 p -139.58 178.89 6.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.364 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.93 -36.67 84.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 109.831 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.11 -22.63 65.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.828 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.38 -149.75 20.05 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.872 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.75 122.58 48.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.822 0.344 . . . . 0.0 110.199 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 80.5 tttt -111.68 126.43 55.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.678 -175.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.85 106.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.8 m -101.93 0.57 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.151 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 163.21 -178.07 38.98 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.001 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -131.18 40.77 3.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.509 0.671 . . . . 0.0 110.808 -179.763 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -152.36 170.3 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.403 175.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.457 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 24.0 m-85 -68.73 146.57 52.83 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 49.66 24.88 1.3 Allowed 'General case' 0 N--CA 1.474 0.767 0 O-C-N 124.05 0.844 . . . . 0.0 112.649 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -103.65 112.12 24.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.055 0.455 . . . . 0.0 110.686 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.3 t -127.3 102.43 9.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.437 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.677 ' OD2' ' HB2' ' A' ' 98' ' ' HIS . 38.7 t70 -123.79 122.06 37.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -177.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.75 16.8 8.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.493 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.677 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 63.2 m80 -78.89 -28.24 44.05 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 169.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.5 mp -69.76 118.38 12.55 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.232 169.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -90.88 29.06 1.41 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.342 0.592 . . . . 0.0 109.903 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.501 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.6 OUTLIER -71.36 117.5 57.52 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.791 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 7.2 Cg_exo -72.79 160.32 46.46 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.786 2.324 . . . . 0.0 112.029 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.407 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -81.49 144.89 31.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.259 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -99.43 157.99 16.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.78 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.21 -67.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 123.647 0.592 . . . . 0.0 111.59 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.2 p -112.73 167.47 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -70.92 -23.87 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.097 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -69.62 -51.94 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.148 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.5 m -69.41 -9.1 52.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.151 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.501 HD21 HD22 ' A' ' 78' ' ' LEU . 62.2 tp -95.71 -57.32 2.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.201 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 118' ' ' TYR . 17.0 tp -62.5 -22.64 66.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 0.0 110.075 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -54.45 -41.26 69.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.244 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 110' ' ' LEU . 12.1 t -94.91 -5.06 45.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.846 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 86.8 mt -90.78 -36.79 14.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.336 . . . . 0.0 111.472 -176.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.7 t -148.7 128.37 6.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.905 0.383 . . . . 0.0 111.043 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.34 -18.57 44.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 111.495 175.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -71.81 -21.84 61.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.821 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.439 ' CD1' HD23 ' A' ' 111' ' ' LEU . 48.0 t80 -61.7 -38.82 89.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.394 0.616 . . . . 0.0 109.805 175.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -68.45 -24.52 64.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.424 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -76.55 -55.81 5.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.135 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' A' ' 47' ' ' ALA . . . -62.04 -35.74 79.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.429 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.401 . . . . 0.0 110.377 178.354 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 4.5 m-20 . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.465 ' SD ' ' HA ' ' A' ' 81' ' ' THR . 6.5 ttm -71.26 -20.08 62.27 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.887 -177.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -58.41 -35.1 71.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.687 169.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER -78.37 -46.52 19.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.612 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 40' ' ' VAL . 42.9 mt-10 -57.84 -30.28 65.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.956 177.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -72.84 -48.98 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.487 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.67 -39.7 77.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.93 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.84 77.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.103 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 36' ' ' GLU . 78.0 t -62.97 -39.35 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.218 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.577 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 53.9 t -56.06 -33.49 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.341 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -88.35 -24.18 23.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.422 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -80.92 -55.93 4.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.566 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.9 m -88.97 4.99 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.709 0.29 . . . . 0.0 111.682 -173.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 61.7 tp -61.21 -26.66 67.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.066 0.46 . . . . 0.0 110.74 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -72.25 -14.22 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.716 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.31 -10.33 21.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.81 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.587 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 35.4 m -123.14 -170.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.671 0.272 . . . . 0.0 111.212 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -90.68 -56.53 3.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.159 0.504 . . . . 0.0 109.708 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -137.68 158.95 43.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.465 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.9 ttt -168.03 134.91 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -160.76 154.98 23.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.2 142.19 16.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.711 ' HB3' HD23 ' A' ' 57' ' ' LEU . 11.0 m -70.14 164.33 24.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 111.319 -175.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -122.15 -24.72 5.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.174 -171.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.541 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 50.8 m -111.1 25.24 11.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.716 0.77 . . . . 0.0 110.292 -172.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' A' ' 54' ' ' SER . 3.9 mm? -113.78 -147.19 0.41 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.718 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -133.18 131.95 41.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.218 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 78.4 m -130.04 46.28 2.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.746 0.784 . . . . 0.0 109.748 -176.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.78 82.32 7.88 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.833 -173.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 66.7 -72.99 0.08 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.082 0.864 . . . . 0.0 112.553 171.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.98 -19.54 54.3 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.385 0.674 . . . . 0.0 111.809 -173.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 13.3 p -129.81 144.67 37.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.668 -176.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.43 119.98 4.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.938 0.399 . . . . 0.0 110.733 171.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.671 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 74.5 m-85 -86.74 138.92 31.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.418 177.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.87 135.84 62.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.584 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 95.8 m-20 -97.33 108.02 20.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 p -113.77 138.52 43.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.091 0.472 . . . . 0.0 110.608 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.517 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.1 tt0 -120.9 101.02 7.42 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.73 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 77.1 p -65.27 164.0 14.26 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.571 -176.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.587 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 89.8 mttt -66.18 -23.44 66.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.941 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -74.82 4.17 6.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.892 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 67.18 21.55 9.99 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.463 0.649 . . . . 0.0 111.328 172.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.51 128.09 49.28 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 169.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HG2' ' HG3' ' A' ' 69' ' ' GLU . 29.2 mtm180 -96.24 146.1 25.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 97.6 m-85 -139.04 142.9 38.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.047 0.451 . . . . 0.0 110.664 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 23.5 t -105.56 109.09 20.93 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 172.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 74.5 mt -98.59 135.86 39.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.196 -173.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -94.13 100.36 12.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.4 tp -78.62 117.22 19.57 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.779 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.465 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 13.0 p -136.69 167.63 21.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.297 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -66.5 -20.33 66.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.958 0.409 . . . . 0.0 110.619 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.45 1.82 47.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.613 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.73 -171.25 15.07 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.764 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 85' ' ' LEU . 5.3 mp -107.42 123.45 48.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' A' ' 103' ' ' TYR . 22.4 mttp -113.59 149.36 34.63 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.64 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.2 t -88.87 104.07 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.796 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.74 -5.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.019 0.438 . . . . 0.0 110.905 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.12 165.04 35.75 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.636 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 4.6 p90 -128.16 27.65 5.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.669 0.747 . . . . 0.0 109.788 177.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.96 162.74 39.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.797 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.63 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 22.3 m-85 -68.42 119.2 12.53 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.247 -0.181 . . . . 0.0 110.672 -177.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.569 ' HA ' HD21 ' A' ' 57' ' ' LEU . 36.5 m-20 67.28 24.98 8.93 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.478 0.486 . . . . 0.0 111.867 174.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -122.46 107.08 11.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.57 0.224 . . . . 0.0 111.403 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.6 t -82.51 125.05 39.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 170.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.76 136.83 38.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.114 0.483 . . . . 0.0 111.391 -173.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -82.27 -13.44 57.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.761 -176.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -88.46 -22.39 23.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.044 0.449 . . . . 0.0 109.894 -176.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.423 HD11 ' HD2' ' A' ' 90' ' ' TYR . 35.6 mt -71.21 117.82 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.994 0.902 . . . . 0.0 112.095 -176.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -116.76 25.92 10.21 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.0 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.88 152.31 91.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 114.099 -1.409 . . . . 0.0 112.303 -175.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.55 -162.77 0.19 Allowed 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.879 2.386 . . . . 0.0 112.347 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.569 ' HB3' ' HG2' ' A' ' 86' ' ' LYS . 6.3 p90 -142.86 166.65 24.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.853 -177.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.21 161.64 20.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.343 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.556 ' CD ' ' H ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -82.99 -39.26 21.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.283 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.456 HG23 ' HG2' ' A' ' 105' ' ' GLU . 70.8 p -123.52 159.16 29.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.963 0.411 . . . . 0.0 110.843 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.09 -29.85 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -70.12 -47.75 60.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.2 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.6 t -67.59 -27.0 66.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.073 0.463 . . . . 0.0 110.176 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.9 tp -75.97 -52.34 10.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.495 ' HA ' HD12 ' A' ' 114' ' ' LEU . 14.9 tp -60.64 -29.27 69.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.141 0.496 . . . . 0.0 110.72 -176.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.61 -37.82 88.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.786 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.5 p -77.82 -9.97 59.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.003 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 70' ' ' THR . 36.4 mt -102.4 -29.94 11.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.186 -174.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.73 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 73.7 m -151.36 118.01 3.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.815 177.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.39 -18.06 59.26 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.809 2.339 . . . . 0.0 111.75 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.35 -13.6 62.4 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.688 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -56.2 -39.67 72.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.144 172.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 36.4 mtp85 -65.03 -37.75 88.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.886 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -77.18 -36.26 55.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.772 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -58.1 -61.33 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.979 0.418 . . . . 0.0 111.233 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.84 179.403 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t0 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.86 0.362 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 31.0 tpp -77.67 -31.38 52.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.545 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 55.3 ttt-85 -70.52 -33.22 70.94 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.7 tp -55.8 -57.48 11.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.745 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.3 mm-40 -58.57 -35.39 72.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.938 177.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.56 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -63.47 -53.62 49.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.213 -177.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.78 -37.13 73.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.492 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.3 -50.06 69.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.76 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 44' ' ' VAL . 57.7 t -60.08 -45.23 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.586 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.558 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 88.7 t -58.97 -33.4 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 111.266 -178.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -85.28 -24.23 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.019 0.438 . . . . 0.0 110.705 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -79.47 -57.98 3.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.503 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.8 m -85.68 4.05 3.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.587 -173.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.4 tp -56.75 -37.82 71.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.037 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -69.37 -24.59 63.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.84 -9.26 49.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.051 0.453 . . . . 0.0 111.345 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.6 m -117.32 -167.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.862 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -100.58 -49.1 4.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.466 ' HB2' ' HB3' ' A' ' 69' ' ' GLU . 0.7 OUTLIER -139.11 161.01 38.44 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 177.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.558 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 12.0 ttt -170.12 129.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.607 ' HE2' ' HE3' ' A' ' 55' ' ' LYS . 59.3 t80 -159.43 143.91 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.562 HG12 HG12 ' A' ' 66' ' ' ILE . 27.7 m -69.45 157.99 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.071 0.462 . . . . 0.0 111.304 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.485 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 6.8 m -79.5 164.06 24.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.373 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.607 ' HE3' ' HE2' ' A' ' 52' ' ' PHE . 98.9 mttt -128.49 -17.74 4.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.44 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -95.07 -5.58 44.0 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 65' ' ' TYR . 64.3 mt -106.02 -144.24 0.38 Allowed 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 113.883 -1.508 . . . . 0.0 109.31 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.419 ' H ' ' HD2' ' A' ' 65' ' ' TYR . 21.7 ptt-85 -153.16 158.53 41.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.326 0.584 . . . . 0.0 111.304 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 1.4 p -154.43 85.43 1.13 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.148 178.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -143.11 102.34 3.98 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.621 -176.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 76.93 -66.66 0.24 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.615 168.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.01 -28.02 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -171.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 11.4 p -136.3 149.49 27.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.83 0.348 . . . . 0.0 111.14 -172.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . . . -140.96 109.2 5.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.224 173.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.603 ' HB3' HD13 ' A' ' 57' ' ' LEU . 57.6 m-85 -86.68 119.53 27.01 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.496 177.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.562 HG12 HG12 ' A' ' 53' ' ' VAL . 46.5 mt -128.06 141.12 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -175.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 77.8 m-20 -100.44 119.09 37.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.407 HG23 ' HG3' ' A' ' 51' ' ' MET . 9.8 p -117.96 134.76 60.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.361 0.601 . . . . 0.0 111.625 -178.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 43.3 tt0 -116.49 98.63 6.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.306 176.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.54 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 42.6 p -63.63 174.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.551 -177.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.4 -8.52 54.31 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.324 0.583 . . . . 0.0 110.182 176.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' HG3' HD22 ' A' ' 74' ' ' ASN . 7.6 tp10 -81.24 -8.55 59.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.145 172.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 64.79 11.53 6.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.405 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.472 HD22 ' HG3' ' A' ' 72' ' ' GLU . 12.1 m-80 -87.14 123.58 32.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.526 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 83.6 mtm180 -98.94 128.86 45.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.726 -170.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -127.67 145.38 50.91 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.536 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.1 p -103.53 127.48 50.93 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.0 mt -111.79 136.13 51.46 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.398 -173.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -95.25 95.92 8.83 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.772 -1.103 . . . . 0.0 108.832 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 65.9 tp -79.35 116.41 19.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.165 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 p -126.22 171.6 10.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.573 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -9.73 58.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.735 0.302 . . . . 0.0 111.384 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.38 -21.98 25.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.886 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.94 -173.25 27.19 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.878 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.08 127.47 47.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.149 0.5 . . . . 0.0 110.805 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HB2' ' CD1' ' A' ' 103' ' ' TYR . 28.3 tttm -126.19 138.61 53.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.209 -177.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.02 139.71 17.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' A' ' 95' ' ' VAL . 10.5 m -120.5 -16.17 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.62 -178.16 41.8 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.359 -0.924 . . . . 0.0 112.193 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -122.34 35.33 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.159 0.504 . . . . 0.0 110.167 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -153.36 -166.1 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.716 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.526 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 15.6 m-30 -91.86 129.54 37.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.769 178.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 54' ' ' SER . 2.6 m-20 57.6 49.89 11.84 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.871 0.732 . . . . 0.0 111.69 174.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -126.8 130.46 50.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.491 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.487 ' HA ' ' HB ' ' A' ' 88' ' ' VAL . 88.7 t -131.27 110.32 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.902 0.382 . . . . 0.0 110.833 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -98.96 131.8 44.75 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.372 174.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -80.82 -9.43 59.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.813 0.339 . . . . 0.0 111.423 -173.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -86.39 -22.12 26.78 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 99' ' ' LEU . 58.1 mt -74.04 115.05 13.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.413 0.625 . . . . 0.0 110.722 176.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -126.43 40.16 3.78 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.748 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 67.2 p -54.46 135.41 62.18 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.15 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 32.0 Cg_exo -57.32 123.73 14.49 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.851 2.367 . . . . 0.0 111.918 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.405 ' CD1' ' HB2' ' A' ' 86' ' ' LYS . 83.8 m-85 -52.96 123.88 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.395 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -79.18 150.39 31.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -54.3 -62.25 1.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.926 0.766 . . . . 0.0 111.083 -172.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.5 p -130.36 178.6 6.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.815 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -66.65 -26.58 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.1 0.476 . . . . 0.0 109.862 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -72.31 -49.72 32.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.555 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.1 p -75.74 -1.85 26.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.086 0.47 . . . . 0.0 111.104 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 43.9 tp -95.9 -44.04 7.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.242 0.544 . . . . 0.0 110.05 171.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 tp -74.2 -16.73 60.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.772 -176.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.4 ' OD2' ' HD3' ' A' ' 119' ' ' ARG . 8.9 t70 -77.79 -20.6 53.0 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -177.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 m -87.59 -20.17 26.78 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 112.918 -1.946 . . . . 0.0 110.77 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.437 ' HB3' HG21 ' A' ' 70' ' ' THR . 91.3 mt -102.58 -40.26 6.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.185 -174.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.54 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 60.1 m -139.49 106.88 7.12 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.848 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.67 -13.34 38.49 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.743 2.296 . . . . 0.0 111.301 175.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.72 -14.4 62.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.368 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.92 -44.99 82.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.514 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.4 ' HD3' ' OD2' ' A' ' 112' ' ' ASP . 18.4 mtm180 -76.01 -34.01 59.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.095 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -62.91 -48.63 78.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.793 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.11 86.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.993 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 78.1 t80 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.426 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 29.2 m-20 . . . . . 0 N--CA 1.464 0.237 0 CA-C-O 120.525 0.202 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 26.2 tpp -66.09 -19.03 65.72 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 120.927 0.394 . . . . 0.0 110.668 -178.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.56 -38.93 86.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.016 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 1.4 mt -78.21 -45.62 22.55 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.902 -177.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.41 -33.13 67.56 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.635 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.49 -49.84 65.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.201 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.31 -41.58 93.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.572 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.41 96.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.97 -47.48 90.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.049 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.32 -43.59 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.661 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -86.48 1.69 50.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.726 -176.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -93.49 -45.66 7.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -108.92 19.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.539 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.18 -30.62 64.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.928 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -82.71 -3.1 55.96 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.92 -0.22 51.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.284 0.564 . . . . 0.0 110.419 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.56 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 34.0 m -139.36 179.6 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.678 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -75.74 -63.2 1.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -138.26 151.92 48.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.17 177.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.4 ttt -154.17 135.44 14.06 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -160.66 160.8 31.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.617 0.246 . . . . 0.0 110.418 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.73 134.63 29.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 174.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.559 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 17.2 m -58.82 126.78 29.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.079 0.466 . . . . 0.0 112.227 -171.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -94.05 -3.46 51.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.412 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 m -109.05 3.85 22.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 109.257 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' A' ' 65' ' ' TYR . 37.1 mt -126.03 -149.97 0.43 Allowed 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.988 -174.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.6 ptt85 -150.86 172.35 15.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.269 0.557 . . . . 0.0 111.734 -173.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.0 p -141.93 131.27 23.61 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.296 174.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' HB3' HG12 ' A' ' 63' ' ' VAL . . . -118.2 14.81 14.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.6 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' ' 33' ' ' MET . 66.7 m-20 70.98 -28.51 0.18 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.588 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 60' ' ' ALA . 10.8 t70 -79.46 -24.69 42.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.904 0.859 . . . . 0.0 108.768 166.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.468 HG12 ' HB3' ' A' ' 60' ' ' ALA . 14.7 p -143.37 146.25 21.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.099 -176.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.64 118.44 11.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.413 175.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.683 ' HB3' HD13 ' A' ' 57' ' ' LEU . 71.2 m-85 -87.57 124.43 33.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.773 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.0 mt -123.48 138.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.803 -175.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -107.43 124.51 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.03 176.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.86 138.64 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.118 0.485 . . . . 0.0 111.007 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.531 ' HB2' ' HZ ' ' A' ' 92' ' ' PHE . 41.2 tt0 -128.37 108.72 10.8 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 71.9 p -70.36 172.47 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.771 -174.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.525 ' HD3' ' HB1' ' A' ' 117' ' ' ALA . 43.5 mtpt -60.85 -28.99 69.24 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.107 0.479 . . . . 0.0 110.675 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' OE1' ' HD2' ' A' ' 116' ' ' PRO . 36.4 mt-10 -82.59 6.78 16.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.617 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 68.78 16.67 8.9 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.898 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -85.14 115.47 22.96 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -96.36 138.47 33.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.138 -172.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -131.53 150.82 52.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.843 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.2 t -114.94 121.44 43.19 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 173.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -111.05 131.05 55.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.417 0.627 . . . . 0.0 112.023 -171.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.527 ' HG2' HG23 ' A' ' 81' ' ' THR . 45.6 tt0 -101.6 97.56 7.97 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.916 173.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.447 HD13 ' HG ' ' A' ' 85' ' ' LEU . 52.0 tp -78.7 115.97 18.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.903 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.527 HG23 ' HG2' ' A' ' 79' ' ' GLU . 23.4 p -129.94 -171.4 2.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.901 -176.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -65.62 -19.69 66.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 110.726 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.04 5.28 52.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.18 -147.13 16.74 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.99 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.447 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.3 mp -96.97 124.67 41.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 110.226 -178.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.616 ' HD2' ' HE1' ' A' ' 103' ' ' TYR . 62.3 tttt -121.05 142.07 50.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.94 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.547 ' HB ' HG21 ' A' ' 101' ' ' THR . 95.4 t -89.07 116.56 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.497 ' HB ' HG13 ' A' ' 95' ' ' VAL . 9.4 m -107.51 -1.53 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.891 0.377 . . . . 0.0 111.367 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -177.88 163.97 32.6 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.07 -1.062 . . . . 0.0 112.595 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -120.22 33.85 5.44 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.868 0.842 . . . . 0.0 109.561 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -158.33 159.96 36.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.288 176.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.531 ' HZ ' ' HB2' ' A' ' 69' ' ' GLU . 78.5 m-85 -72.73 130.54 40.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 t0 70.01 21.05 6.31 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.771 0.796 . . . . 0.0 110.289 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.438 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 34.0 tt0 -111.28 105.73 14.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.428 177.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.497 HG13 ' HB ' ' A' ' 88' ' ' VAL . 75.4 t -132.8 118.19 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.094 0.473 . . . . 0.0 111.913 -175.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.763 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 9.2 t70 -107.29 120.88 43.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 169.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -68.51 -31.02 69.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.195 -171.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -101.05 9.83 41.7 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -170.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.763 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 21.2 mt -65.08 116.93 6.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.022 0.439 . . . . 0.0 110.895 177.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -87.86 89.4 7.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.95 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.547 HG21 ' HB ' ' A' ' 87' ' ' VAL . 20.0 p -108.31 159.35 31.02 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.502 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -66.42 102.6 0.6 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.089 1.86 . . . . 0.0 112.809 -176.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.616 ' HE1' ' HD2' ' A' ' 86' ' ' LYS . 19.8 m-85 -63.54 122.26 15.87 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.965 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -123.19 132.2 53.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -77.29 -10.16 59.26 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.196 -172.407 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.7 p -127.28 142.86 51.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.157 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.61 -28.01 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.825 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -64.52 -49.13 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.128 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.6 t -61.65 -34.55 75.9 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.691 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.2 tp -76.02 -55.2 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.568 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.8 tp -62.69 -28.23 69.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.885 0.374 . . . . 0.0 110.517 -174.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.24 -38.66 85.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.777 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.6 p -76.61 -5.64 48.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.538 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 48.0 mt -115.47 -49.1 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.538 ' OG ' HG21 ' A' ' 70' ' ' THR . 35.9 m -128.98 124.8 22.61 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -173.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.494 ' HD2' ' OE1' ' A' ' 72' ' ' GLU . 42.9 Cg_endo -68.77 -16.2 41.51 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.827 2.351 . . . . 0.0 111.852 176.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.525 ' HB1' ' HD3' ' A' ' 71' ' ' LYS . . . -64.77 -24.37 67.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.309 0.576 . . . . 0.0 110.023 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -60.51 -50.94 71.57 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.044 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.47 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.05 -48.48 81.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.626 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.0 -43.29 19.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.454 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.4 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.549 -178.03 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.518 ' OD1' ' HB2' ' A' ' 34' ' ' ARG . 8.6 t70 . . . . . 0 C--O 1.235 0.318 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.512 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 27.0 tpp -66.41 -19.44 65.8 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -177.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.518 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 77.2 mtm180 -70.3 -32.91 70.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.413 -175.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 5.9 mt -65.58 -52.52 51.63 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.372 0.606 . . . . 0.0 109.494 177.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.93 -31.99 69.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.545 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -67.97 -52.71 32.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.521 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.94 -37.14 86.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.888 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.36 97.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.062 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.519 HG13 HG11 ' A' ' 107' ' ' VAL . 37.0 t -65.54 -49.12 79.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.903 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 69.7 t -53.71 -53.89 23.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.669 -176.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.88 -34.19 77.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.672 -175.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.01 -50.14 37.38 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -171.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.8 m -96.36 4.89 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.589 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 7.6 tt -62.0 -28.91 69.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.961 0.41 . . . . 0.0 110.612 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -66.96 -19.63 65.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.473 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.83 7.52 37.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 111.509 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 31.8 m -130.58 -178.14 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -89.25 -37.83 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.105 0.479 . . . . 0.0 110.238 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -159.72 151.96 20.88 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.7 ttt -165.68 130.5 2.39 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -158.88 161.61 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.588 0.232 . . . . 0.0 110.617 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.21 140.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.604 ' CB ' HD23 ' A' ' 57' ' ' LEU . 8.6 m -72.66 160.63 31.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.898 -175.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -127.54 -4.22 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -172.377 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.536 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 4.5 m -110.51 12.53 22.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.534 0.683 . . . . 0.0 110.284 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.65 ' HG ' ' CB ' ' A' ' 65' ' ' TYR . 3.7 mm? -109.28 -150.74 0.46 Allowed 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.031 -176.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.423 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -140.83 130.01 23.52 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.789 175.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.7 m -122.72 88.72 2.98 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.48 176.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -96.86 19.71 12.2 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.71 -175.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 33' ' ' MET . 80.4 m-20 78.6 -24.96 0.2 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.521 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.05 -33.46 73.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 168.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 p -143.76 154.47 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.355 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.07 117.35 4.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.003 172.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.65 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 86.5 m-85 -86.89 128.7 35.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.061 0.457 . . . . 0.0 110.917 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.5 mt -118.09 132.65 67.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.612 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.576 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 84.6 m-20 -95.57 112.28 24.03 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 11.2 p -113.33 142.23 26.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.0 0.429 . . . . 0.0 110.708 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.5 tt0 -135.28 105.66 6.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.626 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 81.5 p -72.91 -177.18 2.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.58 -175.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -68.84 -21.65 64.27 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.956 0.407 . . . . 0.0 110.461 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -72.5 -5.97 40.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.08 174.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 66.23 20.06 11.08 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.216 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -92.76 119.26 31.95 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.678 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -96.41 141.45 29.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.068 -176.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -137.42 146.97 45.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.811 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.6 t -101.19 117.28 34.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 70.0 mt -106.44 131.84 53.16 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.169 0.509 . . . . 0.0 111.454 -174.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.69 107.89 19.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.483 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.0 tp -89.19 115.34 26.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.997 0.427 . . . . 0.0 110.553 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 p -137.69 -169.13 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.423 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.72 -17.81 64.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.988 0.423 . . . . 0.0 110.771 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.48 -12.67 57.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.738 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.54 -146.01 17.8 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.783 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 85' ' ' LEU . 5.8 mp -105.38 118.36 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.835 0.35 . . . . 0.0 110.27 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 34.2 ttpt -113.78 138.0 50.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.472 -178.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.8 t -81.0 107.35 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 110.191 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.539 ' HB ' HG13 ' A' ' 95' ' ' VAL . 26.8 m -97.13 -10.34 8.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -173.77 160.61 30.78 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.079 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -109.07 35.56 3.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.492 0.663 . . . . 0.0 110.425 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -150.7 169.66 21.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.933 176.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.576 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 83.3 m-85 -74.16 125.45 28.39 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.497 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.614 ' HA ' HD21 ' A' ' 57' ' ' LEU . 13.5 m-20 65.63 19.39 11.44 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.65 0.594 . . . . 0.0 111.103 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -100.26 115.36 29.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.684 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.539 HG13 ' HB ' ' A' ' 88' ' ' VAL . 86.6 t -120.18 117.13 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.545 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.475 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 10.0 t70 -98.64 126.71 44.32 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -65.44 -26.9 68.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.992 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -95.43 3.46 54.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.362 -174.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.475 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 21.6 mt -89.72 114.58 26.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.15 0.5 . . . . 0.0 110.908 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -124.79 77.13 1.57 Allowed 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -85.83 157.11 57.95 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.926 -176.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -68.73 107.83 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.432 2.088 . . . . 0.0 111.625 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.552 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 1.0 OUTLIER -78.22 153.53 31.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.841 -179.061 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -120.65 143.34 48.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.32 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.454 ' HG3' ' H ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -62.92 -29.47 70.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -172.199 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.8 p -131.4 158.68 40.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.643 0.259 . . . . 0.0 110.76 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.519 HG11 HG13 ' A' ' 40' ' ' VAL . 10.3 p -65.24 -29.54 47.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.296 177.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -60.74 -53.69 54.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.26 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.5 m -60.17 -32.26 70.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.399 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.402 ' O ' ' HB ' ' A' ' 113' ' ' THR . 61.2 tp -73.78 -54.39 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.149 -176.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.67 -19.86 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.005 0.431 . . . . 0.0 111.259 -177.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.29 -18.15 53.25 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.966 1.365 . . . . 0.0 108.138 -177.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 55.3 m -93.94 -14.96 25.4 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 112.704 -2.044 . . . . 0.0 110.665 -178.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.9 mt -114.83 -44.2 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -174.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 118' ' ' TYR . 63.8 m -108.59 117.19 54.86 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.134 0.492 . . . . 0.0 112.318 -172.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 38.3 Cg_endo -69.52 -33.01 18.42 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.434 2.089 . . . . 0.0 111.292 172.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.25 -19.4 59.76 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.004 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.497 ' HB2' ' HB2' ' A' ' 115' ' ' SER . 75.1 t80 -59.31 -43.68 92.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.752 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -67.55 -35.37 78.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.508 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -72.31 -49.84 31.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.635 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.42 -31.96 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.96 -175.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.5 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 0.0 110.642 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.711 ' HA ' ' HA ' ' A' ' 61' ' ' ASP . 8.1 t70 . . . . . 0 C--O 1.233 0.221 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.594 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 22.2 tpp -64.26 -6.43 6.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.284 -171.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.653 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 3.5 ttm180 -53.95 -42.09 68.51 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.026 0.53 . . . . 0.0 110.974 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 32' ' ' ASP . 3.1 mt -63.48 -50.58 69.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.144 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.45 -30.15 70.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.815 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -68.3 -53.75 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.093 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.27 -29.14 68.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.039 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.69 -56.45 17.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.288 174.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.508 ' O ' HG22 ' A' ' 44' ' ' VAL . 78.7 t -55.27 -40.77 57.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.309 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.61 HG21 HG13 ' A' ' 53' ' ' VAL . 97.7 t -55.8 -36.65 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.539 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.49 -43.59 14.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.75 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.38 -44.72 80.48 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.241 -175.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 40' ' ' VAL . 33.5 m -106.85 16.36 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.851 -177.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 62.2 tp -59.1 -46.46 88.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 111.489 -177.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.535 ' HD1' ' HB1' ' A' ' 121' ' ' ALA . 45.3 p90 -75.69 -8.41 56.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.78 -175.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.7 -16.64 35.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.074 0.464 . . . . 0.0 110.708 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.571 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 26.9 m -122.67 -169.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.657 -178.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 54.8 t30 -94.01 -42.71 8.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.317 0.58 . . . . 0.0 109.733 178.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -149.01 143.23 25.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.906 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.544 ' HB3' HG13 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -136.58 118.0 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.177 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HD2' ' O ' ' A' ' 54' ' ' SER . 33.4 t80 -141.7 129.38 21.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.691 0.281 . . . . 0.0 110.807 -173.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.61 HG13 HG21 ' A' ' 41' ' ' VAL . 3.4 m -76.74 115.22 18.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.02 0.438 . . . . 0.0 110.921 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.616 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 1.2 m 52.82 -149.75 0.38 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.154 -177.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 54' ' ' SER . 2.6 ttpm? 166.55 -40.21 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.1 m -139.17 6.96 2.39 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 113.783 -1.553 . . . . 0.0 109.277 175.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 65' ' ' TYR . 25.4 mt -98.0 -144.81 0.31 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.454 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -165.86 167.38 16.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.83 0.348 . . . . 0.0 110.769 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.9 p -132.44 95.45 3.63 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.63 85.05 2.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.256 -174.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.711 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 24.7 t70 59.71 -82.28 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.154 0.908 . . . . 0.0 112.537 173.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.52 -30.72 63.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.329 -174.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.92 136.96 52.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.007 0.432 . . . . 0.0 111.456 -175.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 33' ' ' MET . . . -129.3 109.07 10.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.071 173.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.852 ' HB3' HD13 ' A' ' 57' ' ' LEU . 57.7 m-85 -86.27 119.06 26.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.92 0.39 . . . . 0.0 110.73 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.8 mt -120.88 140.82 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.798 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.538 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 91.2 m-20 -111.23 112.67 24.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.542 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.492 HG23 ' HG2' ' A' ' 51' ' ' MET . 10.7 p -118.33 142.5 32.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.253 0.549 . . . . 0.0 110.988 -176.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.571 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 33.9 tt0 -122.7 112.49 18.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.343 175.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.438 ' HA ' HG12 ' A' ' 48' ' ' VAL . 71.5 p -62.53 169.94 2.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.739 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 16.3 ptpt -76.08 -0.36 21.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.68 178.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 16.0 tt0 -85.9 -4.97 59.29 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 169.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 60.34 44.63 12.11 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.283 -174.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -109.28 132.7 53.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.555 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 3.7 mpt_? -96.97 129.69 44.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.049 0.452 . . . . 0.0 111.313 -170.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -133.13 129.41 37.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.226 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 12.2 t -97.2 116.62 29.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.8 mt -110.58 128.72 55.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.314 0.578 . . . . 0.0 111.571 -173.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -97.14 101.59 13.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.188 175.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 57.5 tp -83.21 117.84 23.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.15 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.1 p -138.05 -170.66 2.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.067 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.79 -14.4 62.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.965 0.412 . . . . 0.0 110.517 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.57 2.1 55.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.395 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.44 -143.81 15.82 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.075 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.459 ' HB2' HD22 ' A' ' 110' ' ' LEU . 5.7 mp -105.21 110.89 23.43 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -178.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.474 ' HE3' HG12 ' A' ' 88' ' ' VAL . 4.6 tmtm? -113.57 124.78 53.16 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.344 -176.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.24 128.26 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.694 -177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.501 HG21 HG22 ' A' ' 95' ' ' VAL . 13.2 m -114.31 -9.55 12.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.878 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.46 163.02 31.96 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.427 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -107.71 30.81 5.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.23 0.538 . . . . 0.0 110.205 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -153.52 163.47 39.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.679 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 17.2 m-85 -65.39 122.45 17.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.875 0.369 . . . . 0.0 110.987 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.587 ' HA ' HD11 ' A' ' 57' ' ' LEU . 14.2 m-20 66.77 24.16 9.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.451 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.77 ' HA ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -98.69 108.54 21.26 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.57 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.501 HG22 HG21 ' A' ' 88' ' ' VAL . 86.2 t -122.11 115.09 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.83 0.348 . . . . 0.0 111.602 -176.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.471 ' OD2' ' HB2' ' A' ' 98' ' ' HIS . 31.5 t70 -126.49 111.96 15.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.515 171.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.85 -9.7 58.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.143 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.471 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 61.9 m80 -73.56 -19.18 60.96 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.95 114.95 6.93 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.411 169.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' A' ' 100' ' ' GLN . 2.2 pt20 -112.43 48.93 0.95 Allowed 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.522 0.677 . . . . 0.0 110.215 -175.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.6 p -67.39 138.24 94.01 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.439 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.99 129.17 32.93 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.642 2.228 . . . . 0.0 112.62 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -64.74 131.43 46.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.253 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -108.05 134.88 50.31 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -78.15 -45.04 24.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.426 -171.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.4 p -110.1 139.8 44.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.39 . . . . 0.0 111.491 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.28 -24.2 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.596 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -56.2 -60.76 3.04 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.461 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -70.2 -34.29 72.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.908 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.592 ' O ' HG22 ' A' ' 113' ' ' THR . 38.4 tp -65.22 -57.52 8.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.821 0.343 . . . . 0.0 111.403 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.482 HD21 HG13 ' A' ' 48' ' ' VAL . 27.5 tp -66.08 -31.92 73.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.167 -174.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.17 -37.75 88.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.294 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 110' ' ' LEU . 4.9 t -78.86 -17.0 56.34 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.437 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 97.4 mt -83.97 -46.35 12.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 75.7 m -137.74 112.88 9.11 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.166 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.1 -9.7 20.47 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.721 2.281 . . . . 0.0 111.678 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.541 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -71.95 -5.48 35.09 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.577 175.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.443 ' CD1' HD23 ' A' ' 111' ' ' LEU . 91.1 t80 -61.21 -48.58 80.86 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.838 174.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.645 ' HA ' ' HB3' ' A' ' 122' ' ' PHE . 43.7 mtm180 -74.81 -10.25 59.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.849 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.536 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 43.2 mm-40 -67.29 -50.01 61.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 171.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.535 ' HB1' ' HD1' ' A' ' 46' ' ' PHE . . . -76.9 -35.48 57.36 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.5 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.645 ' HB3' ' HA ' ' A' ' 119' ' ' ARG . 56.8 t80 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.368 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.569 ' HB2' ' HG ' ' A' ' 35' ' ' LEU . 4.1 m-20 . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.7 tpp -62.92 -16.45 59.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.278 0.561 . . . . 0.0 109.662 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 34' ' ' ARG . 58.4 mtt180 -61.1 -34.15 74.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.634 174.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' HB2' ' A' ' 32' ' ' ASP . 7.7 mt -78.43 -46.81 18.9 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.18 -176.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.85 -26.02 68.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.264 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -74.89 -47.87 27.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.359 177.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -59.13 -38.55 79.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.481 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.08 92.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.629 178.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.521 HG13 HG11 ' A' ' 107' ' ' VAL . 53.4 t -64.96 -51.02 71.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.225 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.558 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 79.7 t -55.64 -43.54 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.632 -177.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -81.8 -3.83 54.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.08 -52.48 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.071 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.775 ' HA ' ' HZ ' ' A' ' 122' ' ' PHE . 35.0 m -93.94 8.81 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 65.1 tp -57.65 -30.62 65.55 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.036 0.446 . . . . 0.0 111.211 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -72.01 -9.56 58.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.589 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.53 -14.85 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.671 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 29.9 m -127.2 -171.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.499 0.19 . . . . 0.0 111.318 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -82.41 -58.22 3.02 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.208 0.528 . . . . 0.0 110.157 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -143.2 147.11 34.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.469 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.8 ttt -151.73 135.61 16.44 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -151.77 134.93 15.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.431 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 p -75.93 126.2 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.515 ' CB ' HD23 ' A' ' 57' ' ' LEU . 8.8 m -74.48 123.35 24.56 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.552 0.692 . . . . 0.0 111.846 -171.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -99.29 13.69 32.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.307 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.41 ' C ' HD22 ' A' ' 57' ' ' LEU . 2.8 p -114.17 22.51 13.75 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.416 0.627 . . . . 0.0 110.435 -174.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.598 ' HG ' ' HB2' ' A' ' 65' ' ' TYR . 4.3 mm? -122.77 -155.22 0.64 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.463 -175.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 58' ' ' ARG . 7.5 ptp85 -111.32 13.74 21.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.487 -176.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 3.2 m -53.78 131.98 40.54 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.786 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.25 -70.6 0.16 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.599 0.714 . . . . 0.0 111.455 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -110.14 -68.97 0.89 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.277 -165.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.49 ' O ' ' HA ' ' A' ' 81' ' ' THR . 13.4 t70 -116.78 -2.71 11.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.234 0.54 . . . . 0.0 110.735 -175.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 11.2 p -122.35 131.65 72.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.675 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.44 129.8 18.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.38 175.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.598 ' HB2' ' HG ' ' A' ' 57' ' ' LEU . 37.6 m-85 -93.35 121.61 34.91 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.0 mt -113.53 131.75 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.081 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.466 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 8.3 m120 -101.21 113.14 25.92 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.301 0.572 . . . . 0.0 110.005 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -121.75 140.95 44.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.425 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.671 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 30.5 tt0 -115.22 110.34 19.32 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.622 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 68.0 p -66.49 171.9 4.58 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.402 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 89.1 mttt -75.38 1.47 13.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.054 0.454 . . . . 0.0 110.979 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -96.8 6.02 49.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 67.34 22.05 9.62 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.279 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.05 124.01 34.41 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.38 117.24 29.98 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -112.53 132.06 55.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.94 0.4 . . . . 0.0 110.723 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.08 101.95 14.48 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 171.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.7 mt -94.63 134.96 36.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.191 0.519 . . . . 0.0 111.235 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 27.3 tt0 -94.35 104.09 16.08 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.54 177.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.2 tp -91.86 109.52 20.85 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.553 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 79.7 p -130.23 169.16 15.75 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.01 -28.91 68.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.957 0.408 . . . . 0.0 110.412 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.6 -24.19 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.323 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.63 -179.74 22.47 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.086 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.502 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 6.0 mp -109.99 130.69 55.5 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.547 ' HG2' ' HA ' ' A' ' 103' ' ' TYR . 23.4 mtmm -120.58 160.59 22.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.42 ' HB ' HG21 ' A' ' 101' ' ' THR . 50.3 t -89.59 113.14 25.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 19.3 m -115.55 23.14 5.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.667 0.27 . . . . 0.0 111.232 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . 172.15 150.72 7.4 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.051 -1.071 . . . . 0.0 112.762 176.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -112.02 28.57 8.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.975 0.417 . . . . 0.0 110.785 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -157.87 169.64 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.394 177.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.466 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 56.4 m-85 -69.19 135.02 50.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.024 178.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p30 46.39 24.6 0.31 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.183 0.993 . . . . 0.0 113.237 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.442 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 48.7 tt0 -111.31 116.95 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.167 176.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.62 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 66.1 t -98.97 108.66 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.154 0.502 . . . . 0.0 110.615 176.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -83.03 97.45 8.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -71.7 -13.82 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.42 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -81.23 -10.78 59.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.95 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.77 136.34 48.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.988 0.423 . . . . 0.0 111.132 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -124.86 18.77 8.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.532 -177.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.2 t -55.03 135.45 67.48 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.884 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 9.3 Cg_exo -70.5 158.2 56.68 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.948 2.432 . . . . 0.0 112.948 -177.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.547 ' HA ' ' HG2' ' A' ' 86' ' ' LYS . 17.3 m-85 -63.17 132.76 52.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.943 175.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -101.34 151.44 21.9 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.748 172.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.635 ' CD ' ' H ' ' A' ' 105' ' ' GLU . 1.4 mp0 -54.96 -66.96 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.531 -173.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.2 p -130.3 167.79 17.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.25 -175.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.521 HG11 HG13 ' A' ' 40' ' ' VAL . 14.7 p -72.06 -22.57 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.975 0.417 . . . . 0.0 109.928 176.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -69.54 -49.89 50.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.2 p -75.07 -26.87 59.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.975 0.417 . . . . 0.0 110.569 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.67 -50.72 41.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.746 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.1 -25.48 68.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.176 0.512 . . . . 0.0 109.861 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.68 -41.17 94.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.195 176.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.4 p -76.63 -15.12 59.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.215 -177.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.478 ' HB3' HG21 ' A' ' 70' ' ' THR . 46.7 mt -102.17 -19.03 15.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.201 -173.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.622 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 70.8 m -155.61 110.61 2.19 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.294 176.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 29.4 Cg_endo -63.97 -20.85 68.47 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.587 2.191 . . . . 0.0 111.848 178.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.1 -10.87 60.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.083 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -56.68 -33.27 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.888 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -75.88 -26.96 57.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.279 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -91.09 -0.04 57.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.626 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.81 -67.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.646 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.775 ' HZ ' ' HA ' ' A' ' 44' ' ' VAL . 75.5 m-85 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.494 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 4.3 m-20 . . . . . 0 C--O 1.237 0.42 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -35.21 76.15 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -167.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.7 ttt180 -73.26 -21.77 60.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.131 -175.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' A' ' 32' ' ' ASP . 22.7 mt -76.83 -45.07 29.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.191 0.52 . . . . 0.0 109.711 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 40' ' ' VAL . 61.4 mm-40 -68.38 -18.79 64.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.191 173.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -73.65 -45.35 53.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.127 177.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 56.1 mm-40 -55.31 -40.27 70.92 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.035 175.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.92 83.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.08 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 36' ' ' GLU . 90.6 t -59.48 -45.56 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.302 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.568 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 97.4 t -58.22 -35.85 55.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 111.318 -178.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -84.12 -27.81 27.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.056 0.455 . . . . 0.0 110.773 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.71 -50.76 12.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.216 -172.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 m -106.26 15.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 51.5 tp -56.47 -38.89 72.31 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -74.44 -3.58 31.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -174.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.55 -13.84 27.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.942 0.401 . . . . 0.0 110.76 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.604 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 33.5 m -128.43 -168.92 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -98.46 -37.0 9.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.33 -174.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -167.68 128.56 1.45 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.745 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.505 ' HG2' HG23 ' A' ' 68' ' ' VAL . 82.0 mtp -119.14 141.79 48.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.634 0.254 . . . . 0.0 110.406 177.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -155.84 120.22 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 -176.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.64 141.66 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.478 ' HB3' HD13 ' A' ' 57' ' ' LEU . 19.6 m -62.44 158.08 18.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.434 0.635 . . . . 0.0 112.519 -171.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -132.6 -6.47 3.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.464 -176.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.547 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 50.1 m -110.81 7.34 21.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.953 0.406 . . . . 0.0 111.308 -176.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 54' ' ' SER . 4.9 mp -122.22 -153.12 0.53 Allowed 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -123.0 143.41 49.95 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 120.925 0.393 . . . . 0.0 110.377 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.5 p -128.68 97.89 4.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.805 174.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.84 5.91 48.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.991 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 70.58 0.65 3.35 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.535 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -94.63 -17.35 22.38 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 162.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.1 p -144.69 139.52 23.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 113.94 -1.482 . . . . 0.0 109.195 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 80' ' ' LEU . . . -142.92 118.03 10.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.781 0.324 . . . . 0.0 110.511 176.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -86.82 123.15 31.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.378 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.41 HD11 ' HB1' ' A' ' 37' ' ' ALA . 60.9 mt -118.97 134.36 62.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -96.96 134.54 40.18 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.505 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.5 p -134.3 113.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.711 0.767 . . . . 0.0 111.058 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.1 tt0 -95.55 109.65 21.84 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 173.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.604 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 43.1 p -73.48 176.06 6.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.54 -177.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.447 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 85.3 mttt -75.5 0.15 18.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 110.54 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -88.88 0.99 56.08 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 171.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 66.79 19.78 10.68 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.376 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -96.42 133.37 40.92 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -96.1 111.07 23.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -108.83 126.1 52.68 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.824 0.345 . . . . 0.0 110.118 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.46 ' O ' HG22 ' A' ' 88' ' ' VAL . 12.9 t -96.34 131.7 42.6 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 80.0 mt -121.71 137.64 54.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.216 0.531 . . . . 0.0 111.376 -174.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 81' ' ' THR . 43.9 tt0 -93.76 101.57 13.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 64' ' ' ALA . 60.9 tp -81.66 115.69 21.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.735 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.49 HG23 ' HG2' ' A' ' 79' ' ' GLU . 74.3 p -127.32 178.36 6.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.356 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -74.8 -9.97 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.36 0.6 . . . . 0.0 109.455 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.41 -13.37 30.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.892 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.96 -165.9 24.76 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.732 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 mp -109.07 118.77 37.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.687 0.279 . . . . 0.0 110.273 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.589 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 52.3 tttp -113.33 142.1 46.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 -177.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.575 ' HB ' ' HB ' ' A' ' 101' ' ' THR . 44.0 t -74.83 125.77 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.682 ' HB ' ' CB ' ' A' ' 95' ' ' VAL . 21.7 m -105.98 -25.81 3.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.39 169.73 42.6 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.501 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -102.04 21.45 14.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.756 0.312 . . . . 0.0 110.462 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.8 165.14 27.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.041 0.448 . . . . 0.0 110.927 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.17 124.31 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.147 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 56' ' ' SER . 24.0 m-20 64.29 34.49 10.64 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.579 0.549 . . . . 0.0 110.915 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.754 ' HA ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -122.72 127.04 48.71 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -175.429 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.682 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 2.6 p -136.46 137.88 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.92 170.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -101.91 136.68 41.33 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.78 -32.46 73.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.814 -173.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -107.05 17.96 22.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.871 0.367 . . . . 0.0 111.515 -175.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 mt -79.59 106.07 11.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 0.0 110.218 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -92.43 28.38 1.98 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.523 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.575 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -54.54 134.74 63.23 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.209 176.398 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 35.3 Cg_exo -60.39 166.63 9.14 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 123.223 2.615 . . . . 0.0 113.332 -175.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.589 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -133.85 151.16 51.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.246 178.687 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -117.82 174.52 6.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.027 0.441 . . . . 0.0 111.701 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.493 ' H ' ' CD ' ' A' ' 105' ' ' GLU . 26.9 mp0 -66.7 -64.08 0.93 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.807 -176.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 64.6 p -123.14 176.26 6.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.069 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 p -68.53 -25.99 32.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.034 0.445 . . . . 0.0 109.874 176.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -66.88 -56.76 8.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.709 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.3 p -71.68 -6.66 42.74 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.934 0.397 . . . . 0.0 111.375 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.7 tp -96.23 -55.42 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.955 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.477 HD23 ' CD1' ' A' ' 118' ' ' TYR . 15.5 tp -63.05 -25.31 68.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.351 0.596 . . . . 0.0 109.821 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -63.13 -31.22 72.31 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.968 177.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 43.1 p -91.38 -2.52 57.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.898 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 76.3 mt -115.62 -60.24 1.9 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.107 -171.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 67.0 m -99.41 119.04 61.27 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -170.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -60.53 -31.59 92.56 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.815 2.344 . . . . 0.0 111.307 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -65.06 -31.57 72.85 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.477 ' CD1' HD23 ' A' ' 111' ' ' LEU . 81.5 t80 -61.0 -38.17 85.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.571 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 119' ' ' ARG . 8.5 mmm180 -59.42 -46.96 87.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.469 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -69.91 -42.8 72.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.82 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.16 90.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.232 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 73.0 t80 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.167 178.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.523 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 66.7 t0 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.423 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 33.0 tpp -61.68 -22.74 65.58 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.573 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 ttp85 -63.94 -28.2 69.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.28 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.523 ' HG ' ' HB3' ' A' ' 32' ' ' ASP . 12.7 mt -71.4 -48.9 46.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.19 0.519 . . . . 0.0 109.933 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 40' ' ' VAL . 40.1 mt-10 -65.87 -26.76 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.318 174.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -67.45 -53.01 32.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.674 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -58.55 -35.87 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.412 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.3 -48.62 79.05 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.661 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.5 ' O ' HG22 ' A' ' 44' ' ' VAL . 78.6 t -62.9 -49.76 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.027 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.579 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 69.0 t -53.81 -47.88 62.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.423 -178.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -70.83 -35.3 72.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.378 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.58 -50.16 22.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.333 -0.394 . . . . 0.0 112.032 -172.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.7 m -95.6 11.98 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.664 -174.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 46.9 tp -59.02 -29.38 67.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.515 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -75.55 -10.45 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 111.098 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.37 4.88 41.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.115 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.1 m -140.39 179.98 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -90.35 -39.77 12.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.013 0.435 . . . . 0.0 110.302 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.434 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 56.2 t30 -153.17 154.28 34.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.579 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 16.1 ttt -162.74 127.37 3.11 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -157.84 136.93 11.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.284 -176.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.493 HG12 HG12 ' A' ' 66' ' ' ILE . 17.8 m -60.47 136.24 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.438 ' CB ' HD12 ' A' ' 57' ' ' LEU . 16.1 m -52.32 -49.05 64.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -170.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.6 tttt 68.26 6.44 5.3 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.818 0.818 . . . . 0.0 109.869 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.4 m -127.6 23.62 6.27 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 65' ' ' TYR . 14.9 mt -151.58 123.0 7.83 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 113.438 -1.71 . . . . 0.0 108.906 -171.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.63 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -63.42 112.54 2.79 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.495 -170.541 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 4.1 p -104.14 95.03 5.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.466 170.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.51 -76.34 0.17 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.924 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -140.37 -64.09 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.596 -176.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.31 19.5 19.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.967 0.413 . . . . 0.0 111.238 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.9 p -141.27 129.21 22.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.096 176.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.28 125.24 14.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.578 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.548 ' HB3' HD13 ' A' ' 57' ' ' LEU . 97.3 m-85 -95.15 126.1 40.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.713 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.493 HG12 HG12 ' A' ' 53' ' ' VAL . 50.7 mt -124.96 144.3 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.72 -176.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -106.24 124.46 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 11.3 p -121.49 147.21 25.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 -176.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.524 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 43.7 tt0 -134.44 104.51 6.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.454 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 72.6 p -65.77 175.18 2.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.645 -175.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 117' ' ' ALA . 50.2 mtpt -67.79 -19.82 65.13 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.986 0.422 . . . . 0.0 110.608 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -80.47 2.87 23.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.985 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 69.79 21.08 6.57 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.587 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.47 130.21 35.85 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.623 176.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 91.1 mtm180 -100.96 132.91 46.14 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.044 0.449 . . . . 0.0 110.795 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 72.6 m-85 -129.25 152.15 49.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.239 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.9 t -111.54 122.24 47.3 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.466 HD13 HD23 ' A' ' 85' ' ' LEU . 88.2 mt -111.06 127.72 55.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.285 0.564 . . . . 0.0 111.688 -173.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -95.31 95.0 8.19 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.736 173.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.572 HD13 ' HG ' ' A' ' 85' ' ' LEU . 50.7 tp -82.47 115.16 21.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.716 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.9 p -135.16 -166.97 1.92 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.864 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.51 -19.69 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.977 0.418 . . . . 0.0 110.553 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.4 3.18 55.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.775 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.43 -143.25 16.42 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.327 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.572 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.5 mp -101.86 116.17 32.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.046 0.451 . . . . 0.0 110.271 -177.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.49 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 34.2 tttt -116.09 136.47 52.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.73 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.56 ' HB ' HG21 ' A' ' 101' ' ' THR . 59.9 t -85.97 110.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.806 0.336 . . . . 0.0 110.248 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.568 HG21 HG22 ' A' ' 95' ' ' VAL . 3.6 m -91.63 -5.1 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.514 ' HA2' HD22 ' A' ' 99' ' ' LEU . . . 169.47 164.64 25.52 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.47 178.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 8.3 p90 -118.57 75.82 1.05 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.967 0.889 . . . . 0.0 110.298 176.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.88 -179.32 3.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.884 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -88.5 107.38 18.85 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 64.55 78.74 0.27 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.445 -174.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -146.57 108.59 4.39 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.568 HG22 HG21 ' A' ' 88' ' ' VAL . 77.9 t -124.31 121.35 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.972 0.415 . . . . 0.0 112.041 -173.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 6.5 t70 -146.66 142.79 28.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.957 170.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -89.82 -1.14 57.92 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.404 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -99.02 0.57 44.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' HA2' ' A' ' 89' ' ' GLY . 8.5 mp -74.98 121.84 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.474 -0.49 . . . . 0.0 109.775 171.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -85.56 75.09 10.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.163 0.506 . . . . 0.0 111.171 -174.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.56 HG21 ' HB ' ' A' ' 87' ' ' VAL . 40.9 p -111.08 134.18 21.11 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.967 176.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.83 125.37 15.25 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.674 2.249 . . . . 0.0 112.686 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.49 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 85.2 m-85 -61.72 122.88 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.745 174.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -109.55 140.65 43.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.955 0.407 . . . . 0.0 110.284 175.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -76.64 -27.96 55.87 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.76 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 46.0 p -131.46 150.07 52.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.758 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.26 -22.5 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.424 178.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.477 ' HA ' ' OH ' ' A' ' 118' ' ' TYR . 25.8 m-85 -56.7 -63.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 -178.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.487 ' O ' HG23 ' A' ' 113' ' ' THR . 7.6 m -70.11 -19.66 63.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.428 -176.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 85' ' ' LEU . 28.5 tp -80.57 -54.79 5.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.517 HD23 ' CD1' ' A' ' 118' ' ' TYR . 14.6 tp -63.87 -25.06 67.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.087 0.47 . . . . 0.0 109.874 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.96 -35.5 80.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.318 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 109' ' ' SER . 58.1 p -74.18 -8.25 55.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.217 0.532 . . . . 0.0 110.877 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.2 mt -112.28 -44.23 3.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.874 -175.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.454 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 56.2 m -119.01 122.74 29.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.636 -178.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.35 -18.33 26.5 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.482 2.121 . . . . 0.0 110.942 172.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.444 ' CB ' ' HD3' ' A' ' 71' ' ' LYS . . . -73.19 -10.14 59.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.061 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.517 ' CD1' HD23 ' A' ' 111' ' ' LEU . 74.8 t80 -64.4 -51.28 64.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.283 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -72.74 -19.85 61.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.128 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.44 ' CD ' ' HA ' ' A' ' 117' ' ' ALA . 89.5 mt-10 -68.17 -54.87 14.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.1 90.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.887 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 89.9 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.977 176.004 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.729 0.3 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -133.41 -176.82 4.27 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.188 -175.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 t -143.74 -177.52 5.45 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 174.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.7 121.28 29.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.098 0.475 . . . . 0.0 110.393 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.597 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 11.2 p -82.47 -166.1 1.2 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.671 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -106.62 92.64 7.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.185 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.597 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 92.7 Cg_endo -97.53 -158.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 123.465 2.777 . . . . 0.0 111.859 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.5 148.04 43.73 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.73 125.16 46.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.551 0.691 . . . . 0.0 110.634 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.4 mt -90.18 13.51 14.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.997 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 m -130.62 178.91 6.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.098 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 p -61.93 -58.53 7.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.111 0.481 . . . . 0.0 110.349 176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.8 ttt -154.39 153.45 31.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 m -72.4 92.25 1.42 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.83 0.347 . . . . 0.0 110.694 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -130.58 93.18 0.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -93.4 -37.71 11.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.059 0.457 . . . . 0.0 110.087 -177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -92.96 132.13 37.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.295 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -138.56 147.2 42.76 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.78 -55.5 0.32 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.123 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -67.02 151.58 47.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.518 0.199 . . . . 0.0 110.468 177.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG2' ' H ' ' A' ' 21' ' ' GLU . 5.7 pt-20 -84.6 141.22 30.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.074 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 tt -90.64 -40.69 11.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.108 -172.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -59.79 119.52 7.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.016 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -146.38 -114.05 0.83 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.575 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -87.01 -25.98 23.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.925 0.393 . . . . 0.0 111.189 -176.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -121.21 109.2 14.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.724 -177.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -107.73 72.0 0.21 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.841 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 30' ' ' MET . 48.2 m -80.47 123.77 28.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.95 0.405 . . . . 0.0 111.106 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.21 -26.51 68.83 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.365 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.512 ' H ' HG22 ' A' ' 28' ' ' THR . 48.1 ttp 72.42 16.38 4.98 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.918 0.761 . . . . 0.0 109.708 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.634 ' HE3' ' HG3' ' A' ' 36' ' ' GLU . 37.1 tttp -70.82 115.81 10.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.188 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 14.2 t0 -90.75 126.55 36.04 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 176.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.513 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 18.7 tpp -70.41 -32.6 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.758 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -66.86 -41.9 86.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.152 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 21.4 tp -50.68 -59.8 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.031 174.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.634 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 6.4 mm-40 -61.32 -33.86 74.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.441 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -64.24 -54.19 37.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.23 -177.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.46 -25.04 67.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.4 -44.64 67.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.531 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 36' ' ' GLU . 58.6 t -64.18 -47.85 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.114 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 37' ' ' ALA . 79.1 t -54.36 -43.96 64.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.596 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -66.56 -38.85 87.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.419 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -75.62 -35.93 60.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.405 -170.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.9 m -105.53 8.67 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.42 -29.24 68.86 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -70.1 -22.55 63.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -172.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.13 8.44 42.99 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -171.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.522 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 34.8 m -140.35 -177.06 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -80.22 -55.58 4.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.158 0.504 . . . . 0.0 110.154 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -153.43 136.62 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.138 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.7 ttt -138.12 135.42 35.73 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -160.99 157.67 26.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.721 0.296 . . . . 0.0 110.466 -175.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.19 137.38 23.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.075 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.3 m -68.82 115.54 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.218 0.532 . . . . 0.0 110.587 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 75.3 tttt -96.6 3.68 52.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.497 -176.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m -104.61 12.56 32.88 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.347 -173.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -135.12 -93.82 0.28 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.696 -176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -176.76 159.43 1.79 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.408 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.5 p -164.88 112.89 1.04 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -143.6 89.65 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.058 -174.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 33' ' ' MET . 32.1 m-20 68.13 -71.28 0.11 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.061 168.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -80.27 -28.55 38.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.081 0.467 . . . . 0.0 111.204 -175.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -135.18 138.28 48.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.082 0.467 . . . . 0.0 111.365 -173.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.34 133.02 20.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.998 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -94.69 128.97 41.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.066 0.46 . . . . 0.0 110.739 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.0 mt -119.44 155.86 21.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.445 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -128.51 139.14 52.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.065 0.46 . . . . 0.0 110.056 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.78 131.97 66.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.932 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.522 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 45.7 tt0 -120.94 108.96 14.51 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.166 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.491 HG21 ' HB2' ' A' ' 115' ' ' SER . 68.8 p -72.22 -179.23 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.836 -173.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HD3' ' HB1' ' A' ' 117' ' ' ALA . 7.2 mtpm? -67.87 -25.53 65.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.112 -175.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -94.42 18.06 11.88 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.941 0.401 . . . . 0.0 110.642 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.88 7.36 5.45 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.409 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -72.13 132.74 44.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HD3' ' HB2' ' A' ' 92' ' ' PHE . 99.3 mtt180 -113.92 136.22 53.13 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.099 0.476 . . . . 0.0 111.222 -174.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -129.72 132.7 46.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.31 175.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 17.0 t -103.39 129.75 50.55 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 67.6 mt -118.45 128.69 54.84 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.129 0.49 . . . . 0.0 111.45 -171.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -93.65 98.35 11.08 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.513 ' HG ' ' SD ' ' A' ' 33' ' ' MET . 40.1 tp -81.23 121.95 26.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.91 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -142.84 -174.92 4.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.935 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -13.75 62.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.842 0.354 . . . . 0.0 110.962 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.28 -3.28 58.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.513 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.71 -147.0 16.61 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.834 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.2 mp -104.04 114.48 28.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 0.0 110.082 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.752 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 55.3 tttt -112.71 113.14 25.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.541 -176.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.646 HG13 ' HB ' ' A' ' 101' ' ' THR . 4.0 p -66.27 123.55 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.021 0.439 . . . . 0.0 109.952 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.508 ' HB ' HG13 ' A' ' 95' ' ' VAL . 6.2 m -119.32 4.63 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.435 -177.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.576 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -177.19 160.01 26.67 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.505 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -121.16 29.48 7.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.436 0.636 . . . . 0.0 110.138 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 94' ' ' GLN . . . -147.27 167.08 25.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.449 177.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.536 ' HB2' ' HD3' ' A' ' 75' ' ' ARG . 35.2 t80 -69.24 116.67 9.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.728 0.299 . . . . 0.0 110.903 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 65.14 30.97 11.26 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.903 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.797 ' HA ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -99.26 112.37 24.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.223 178.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.508 HG13 ' HB ' ' A' ' 88' ' ' VAL . 95.6 t -131.96 116.01 28.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.152 177.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.628 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 25.8 t70 -106.93 137.13 45.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.329 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.76 -10.15 59.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.29 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -104.1 1.57 31.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.628 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 19.6 mt -76.24 112.95 13.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.377 0.608 . . . . 0.0 110.981 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.14 30.46 1.9 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.273 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.646 ' HB ' HG13 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -66.02 132.88 94.69 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.619 -178.639 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.04 136.94 54.82 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.221 2.614 . . . . 0.0 113.936 -173.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.752 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 1.2 p90 -92.04 144.24 25.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.566 175.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -106.31 168.97 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.612 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.514 ' HG3' HG23 ' A' ' 106' ' ' THR . 16.8 tp10 -69.44 -64.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.903 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.514 HG23 ' HG3' ' A' ' 105' ' ' GLU . 81.4 p -118.26 176.63 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 -177.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.1 p -71.51 -26.84 27.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.348 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -65.15 -58.82 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.61 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.2 m -69.62 -4.19 18.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.667 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 54.9 tp -96.62 -60.76 1.54 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.988 0.423 . . . . 0.0 110.812 177.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 114' ' ' LEU . 18.0 tp -69.0 -20.28 64.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.121 -173.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.15 -25.67 65.39 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 122.249 1.024 . . . . 0.0 108.981 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.89 -19.61 18.72 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.543 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 89.7 mt -84.49 -29.93 25.61 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.271 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.491 ' HB2' HG21 ' A' ' 70' ' ' THR . 38.6 t -145.19 116.4 5.13 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.391 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.14 -25.63 72.87 Favored 'Trans proline' 0 CA--C 1.527 0.13 0 C-N-CA 122.523 2.149 . . . . 0.0 111.309 175.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.44 ' HB1' ' HD3' ' A' ' 71' ' ' LYS . . . -66.44 -33.06 74.87 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.574 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -60.97 -38.82 87.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.072 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -67.69 -41.69 83.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.33 -37.55 83.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.338 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.42 -39.12 93.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.541 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -61.46 -41.77 97.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.996 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.61 -37.79 93.97 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.581 177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.84 -46.92 85.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.003 0.43 . . . . 0.0 110.588 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.76 -25.68 64.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.374 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.9 tp -75.05 -46.98 31.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.711 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 pp -67.33 -19.27 65.43 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.078 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.15 -35.9 80.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.914 0.388 . . . . 0.0 110.526 174.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -35.03 72.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.022 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.36 -54.34 45.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.683 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.99 -24.69 62.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.251 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.49 97.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.583 175.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.82 -22.22 37.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -72.52 -44.85 61.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.921 0.391 . . . . 0.0 110.193 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 135' ' ' ARG . 15.8 tpt180 -75.76 -53.64 8.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.943 0.401 . . . . 0.0 110.11 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -103.35 115.3 30.28 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 148.23 -52.8 0.54 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.485 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 138' ' ' GLN . 0.9 OUTLIER -99.0 2.97 46.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.409 0.623 . . . . 0.0 110.238 175.21 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.25 1.129 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.073 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.69 -15.93 59.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.406 0.622 . . . . 0.0 109.59 173.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.4 m -64.29 -41.03 97.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.105 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -99.61 79.39 2.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.848 0.832 . . . . 0.0 110.656 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.4 p -96.86 175.21 6.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.937 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -58.85 128.72 84.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.135 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -91.48 -158.15 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 123.212 2.608 . . . . 0.0 112.828 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.401 ' HB3' ' H ' ' A' ' 9' ' ' GLU . 95.8 mmm -96.66 -149.88 0.33 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.288 176.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.401 ' H ' ' HB3' ' A' ' 8' ' ' MET . 41.5 mt-10 -55.0 -41.35 71.16 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.13 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.9 tp 75.62 -47.38 0.59 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 171.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.448 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 12.8 t -59.12 -36.08 74.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.487 0.18 . . . . 0.0 111.487 -175.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 m 67.31 -176.0 0.2 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 123.535 0.522 . . . . 0.0 111.723 175.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -69.19 119.59 13.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.027 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.6 m 61.69 28.29 17.45 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.65 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 11' ' ' SER . . . -78.73 65.62 3.45 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.325 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -83.24 -62.94 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.084 0.469 . . . . 0.0 110.878 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -112.49 101.91 10.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.715 -174.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.12 17.85 7.21 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.355 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.72 -110.61 3.87 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.7 m -141.36 93.32 2.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.029 0.442 . . . . 0.0 110.182 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -97.45 13.18 30.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.505 -175.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.5 tp -138.06 119.49 14.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -117.82 145.97 44.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.606 -177.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.71 56.73 0.68 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.108 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -114.35 21.24 14.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.102 0.477 . . . . 0.0 110.806 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -88.19 115.82 25.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.753 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.94 74.63 0.83 Allowed Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.136 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 m -75.8 -20.36 58.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.455 0.645 . . . . 0.0 109.909 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -73.7 98.29 2.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.829 0.823 . . . . 0.0 110.112 176.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.0 ptp -131.33 22.05 4.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.24 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.505 ' HE3' ' HG3' ' A' ' 36' ' ' GLU . 65.7 tttp -162.41 112.21 1.47 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -175.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.599 ' HB2' ' CB ' ' A' ' 35' ' ' LEU . 2.8 m-20 -62.55 116.05 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.702 -175.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.8 tpp -65.7 -32.13 73.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.243 0.544 . . . . 0.0 110.155 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.52 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -72.38 -32.49 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.93 178.398 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.599 ' CB ' ' HB2' ' A' ' 32' ' ' ASP . 17.7 tp -57.08 -57.06 14.21 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.639 176.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.505 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 9.1 mm-40 -63.27 -34.16 77.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.474 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -61.45 -51.69 67.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.465 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.71 -40.47 92.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.226 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.26 74.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.279 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.77 -41.56 85.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.739 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 42.0 t -53.88 -37.49 33.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.309 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -29.37 37.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.844 0.354 . . . . 0.0 111.521 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -80.34 -48.8 12.42 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -172.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -100.44 5.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.739 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 7.3 tt -62.08 -27.71 69.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 110.251 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.58 -19.79 65.12 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.307 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 118' ' ' TYR . . . -88.01 -22.89 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.197 -178.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.528 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 26.9 m -122.45 -168.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.69 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -93.89 -48.93 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.119 0.485 . . . . 0.0 110.979 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -144.77 145.05 31.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.342 -173.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.524 ' HG2' HG23 ' A' ' 68' ' ' VAL . 73.1 mtp -142.7 116.45 9.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -145.17 134.25 22.67 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.854 HG12 HG12 ' A' ' 66' ' ' ILE . 19.5 m -73.51 153.5 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.84 0.352 . . . . 0.0 111.059 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.451 ' HB3' ' OD1' ' A' ' 93' ' ' ASP . 15.1 m -72.29 167.49 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.268 -175.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.488 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 14.1 tmtt? -130.77 -23.1 2.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -177.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.0 m -91.09 16.1 10.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.413 0.625 . . . . 0.0 110.428 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mp -127.84 -102.7 0.33 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.104 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -174.91 150.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 110.356 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.0 p -141.51 78.79 1.65 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.572 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.1 22.52 5.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.227 -172.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' A' ' 34' ' ' ARG . 38.6 m-20 74.62 -4.96 2.22 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.429 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -96.85 -26.92 14.92 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 169.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.6 p -142.68 147.19 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.199 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.13 125.4 11.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.685 0.279 . . . . 0.0 110.897 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -99.06 123.18 43.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.381 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.854 HG12 HG12 ' A' ' 53' ' ' VAL . 40.3 mt -115.05 133.63 60.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.56 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.442 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 13.4 m120 -103.08 116.56 32.74 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.524 HG23 ' HG2' ' A' ' 51' ' ' MET . 7.7 p -114.25 128.96 71.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.54 -175.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.6 tt0 -109.14 114.07 27.46 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.853 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.0 p -65.03 173.19 2.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.131 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 97.4 mttt -80.13 -1.14 38.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.312 0.577 . . . . 0.0 111.054 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -96.03 7.42 46.44 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.4 ttt-85 63.69 15.7 9.16 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.748 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -83.24 112.06 19.52 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.457 ' HD3' ' CE2' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -97.08 140.43 31.61 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.899 -174.104 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 82.8 m-85 -131.43 161.11 33.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.747 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.0 m -109.62 121.96 46.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.164 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.429 HD22 HD21 ' A' ' 110' ' ' LEU . 71.9 mt -110.13 126.86 54.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.814 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -94.77 106.35 18.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.084 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.414 HD13 ' HG ' ' A' ' 85' ' ' LEU . 62.8 tp -90.98 121.81 33.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.662 -177.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -137.81 -173.41 3.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.19 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.87 -8.78 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.097 0.475 . . . . 0.0 110.454 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.53 -17.68 35.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.149 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.46 -160.29 23.04 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.209 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.414 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.8 mp -101.76 115.92 31.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.879 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 26.4 tttm -113.39 115.91 28.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.818 -176.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.66 131.09 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.205 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.484 ' HB ' HG13 ' A' ' 95' ' ' VAL . 16.3 m -124.52 -5.86 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.59 175.81 47.2 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 119.663 -1.256 . . . . 0.0 113.194 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -131.06 66.88 1.53 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.3 0.572 . . . . 0.0 110.614 -179.504 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' HA ' ' HG3' ' A' ' 75' ' ' ARG . . . -174.91 -155.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.233 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.457 ' CE2' ' HD3' ' A' ' 75' ' ' ARG . 48.5 m-85 -108.63 128.05 54.5 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' A' ' 54' ' ' SER . 10.9 m-20 59.71 28.55 18.02 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.618 0.574 . . . . 0.0 111.392 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 6.3 tp-100 -104.75 103.85 13.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 -176.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.484 HG13 ' HB ' ' A' ' 88' ' ' VAL . 94.9 t -117.4 117.49 55.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.469 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.509 ' HB3' HD13 ' A' ' 99' ' ' LEU . 47.9 t0 -125.0 137.64 54.24 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.533 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -85.75 0.4 52.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.946 0.403 . . . . 0.0 110.347 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.409 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 34.3 m-70 -82.84 -11.95 57.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.338 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 96' ' ' ASP . 7.9 mp -92.28 112.41 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.007 0.432 . . . . 0.0 110.765 176.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -100.18 28.44 4.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.313 176.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.31 118.1 36.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.387 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.85 145.27 90.29 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.896 2.398 . . . . 0.0 112.588 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.879 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 10.0 p90 -80.8 148.23 30.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.872 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -107.92 143.9 35.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -72.78 -2.27 19.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.002 0.43 . . . . 0.0 111.6 -172.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 109' ' ' SER . 0.0 OUTLIER -155.01 147.54 24.17 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.349 -176.71 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.84 -24.43 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.708 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -71.58 -45.75 61.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.009 0.433 . . . . 0.0 110.361 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.488 ' HB3' HG23 ' A' ' 106' ' ' THR . 26.3 t -67.1 -22.88 65.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.963 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.514 ' O ' HG22 ' A' ' 113' ' ' THR . 58.3 tp -86.96 -54.08 4.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.352 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.68 -21.81 66.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.9 0.381 . . . . 0.0 110.723 -175.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.65 -39.5 80.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.885 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 110' ' ' LEU . 11.3 t -91.84 -10.78 38.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 -176.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.2 mt -92.91 -24.54 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.539 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.431 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 50.2 m -148.58 123.57 4.99 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.756 0.312 . . . . 0.0 111.779 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 21.8 Cg_endo -64.13 -25.39 65.62 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.151 1.9 . . . . 0.0 110.626 170.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.569 ' HA ' ' HB2' ' A' ' 120' ' ' GLU . . . -65.9 -22.13 66.49 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.802 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.47 ' HA ' ' HB1' ' A' ' 47' ' ' ALA . 68.3 t80 -64.15 -40.65 96.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.427 0.632 . . . . 0.0 109.466 174.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -80.33 -30.5 38.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.738 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 117' ' ' ALA . 1.2 mp0 -60.71 -51.9 67.38 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.992 169.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.41 97.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.179 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -62.08 -47.15 85.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.291 . . . . 0.0 110.387 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -64.71 -36.5 93.2 Favored Glycine 0 CA--C 1.508 -0.406 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.143 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -71.43 -35.38 70.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.489 0.185 . . . . 0.0 111.005 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.98 -45.23 71.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.694 0.283 . . . . 0.0 111.012 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.81 -38.88 92.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.427 HD13 ' C ' ' A' ' 127' ' ' LEU . 2.3 tm? -58.53 -51.02 71.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.167 174.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -60.9 -40.97 95.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.595 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 58.7 ttt-85 -63.2 -40.4 97.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.691 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 67.7 mt -60.46 -46.35 90.4 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.201 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.64 -45.85 90.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.113 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.18 -49.75 73.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.701 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 75.6 mt -75.22 -34.09 61.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.279 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -72.88 -33.15 65.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.075 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -89.63 -5.38 57.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -117.79 132.96 56.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.687 0.28 . . . . 0.0 111.113 -177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 130.48 -175.79 19.15 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.935 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -144.94 -178.14 5.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.5 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.28 178.605 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -102.24 -52.73 3.07 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.204 0.526 . . . . 0.0 109.932 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.4 p -104.75 130.61 52.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.231 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.423 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 31.3 t70 -113.54 -97.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 176.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 4' ' ' ASP . 54.1 m -167.29 -56.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.077 0.551 . . . . 0.0 109.811 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -127.22 113.3 21.54 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.437 -175.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.28 154.9 21.95 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 123.364 2.709 . . . . 0.0 111.956 175.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.8 ttp -108.05 -7.39 16.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.4 0.619 . . . . 0.0 110.391 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -64.24 -25.4 68.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.565 -175.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.3 tp -107.89 99.56 9.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.737 176.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.4 t -121.5 157.34 30.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.058 -178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 t -77.77 124.56 28.13 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.9 ttt -88.7 126.45 35.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.0 t -155.0 150.21 27.1 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.95 177.43 21.4 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.105 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -78.16 93.49 4.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.306 0.574 . . . . 0.0 110.861 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -123.08 -80.79 0.63 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.376 -0.829 . . . . 0.0 108.767 174.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -88.43 -12.87 41.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.852 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.69 88.93 0.14 Allowed Glycine 0 C--N 1.33 0.236 0 CA-C-N 115.474 -0.785 . . . . 0.0 113.351 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.8 t -145.03 145.27 31.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 176.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 69.77 118.67 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.69 0.619 . . . . 0.0 111.12 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tt 61.8 86.31 0.11 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.968 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -76.63 115.22 16.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.263 172.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.69 172.25 44.55 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.226 -0.988 . . . . 0.0 112.659 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -112.15 175.76 5.3 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -80.01 80.18 6.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.86 57.84 4.93 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.206 -177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 t -121.4 99.33 6.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.712 0.768 . . . . 0.0 109.742 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.31 -31.43 60.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.128 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.7 ttp -135.81 134.35 38.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.635 173.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HD3' ' CG ' ' A' ' 36' ' ' GLU . 37.0 ttmt -72.43 141.08 48.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.721 0.296 . . . . 0.0 110.777 -177.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.588 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 66.0 t0 -84.47 112.01 20.0 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.514 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 22.9 ttm -77.14 -18.83 57.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.15 0.5 . . . . 0.0 109.881 -177.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.56 ' HB3' ' OD1' ' A' ' 32' ' ' ASP . 22.3 ttp180 -66.64 -29.92 70.07 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 172.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.588 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 5.5 tp -67.29 -50.5 60.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.774 173.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' CG ' ' HD3' ' A' ' 31' ' ' LYS . 6.2 mm-40 -57.69 -30.72 65.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.845 176.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -64.93 -54.65 27.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.263 -175.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.93 -26.71 68.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.796 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.67 -46.11 63.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.505 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 44' ' ' VAL . 55.5 t -63.94 -45.07 97.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.582 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 54.8 t -52.25 -41.3 33.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.515 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.78 -29.59 56.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -78.68 -53.46 7.13 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 40' ' ' VAL . 33.4 m -84.22 4.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.874 0.369 . . . . 0.0 111.306 -174.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 39.0 tp -60.46 -23.29 64.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.892 178.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -70.99 -24.71 62.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.992 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 118' ' ' TYR . . . -85.68 -21.49 28.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 111.214 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.643 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 31.2 m -119.3 -168.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.56 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 10.4 t30 -100.95 -37.36 8.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 110.689 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.537 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 9.3 t30 -149.9 153.3 36.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.859 -177.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.582 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 14.6 ttt -162.45 139.04 7.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -160.96 139.89 10.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.481 0.181 . . . . 0.0 110.539 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.631 HG12 HG12 ' A' ' 66' ' ' ILE . 15.4 m -77.53 122.48 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.583 ' HB2' HD12 ' A' ' 57' ' ' LEU . 54.7 m -70.72 128.31 35.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.04 0.448 . . . . 0.0 111.865 -171.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.74 -7.48 59.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.788 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 m -94.54 4.79 53.41 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.536 0.684 . . . . 0.0 109.575 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' A' ' 65' ' ' TYR . 68.0 mt -122.75 -163.56 1.11 Allowed 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.164 -175.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.464 ' HB3' ' CD2' ' A' ' 65' ' ' TYR . 16.0 tpt180 -110.3 138.77 46.24 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.876 -171.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 4.6 p -157.75 84.21 0.89 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.31 0.576 . . . . 0.0 110.164 174.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.24 -64.47 1.16 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.541 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.85 -56.54 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.554 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -89.45 2.8 54.02 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.059 0.457 . . . . 0.0 110.943 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.6 p -141.6 129.4 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.558 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.23 119.06 13.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.256 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.728 ' HB3' HD13 ' A' ' 57' ' ' LEU . 47.6 m-85 -86.46 113.81 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.125 0.488 . . . . 0.0 110.829 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.631 HG12 HG12 ' A' ' 53' ' ' VAL . 41.7 mt -117.74 145.35 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.455 -175.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' OD1' ' HA ' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -113.05 133.87 54.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.025 0.44 . . . . 0.0 110.389 174.588 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.0 p -126.69 141.01 47.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.141 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.643 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.2 tt0 -129.08 110.81 12.35 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.417 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.468 HG21 ' HB2' ' A' ' 115' ' ' SER . 53.1 p -66.34 178.19 1.28 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.164 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HA ' ' HB2' ' A' ' 49' ' ' ASN . 97.1 mttt -69.89 -21.74 63.29 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.164 0.507 . . . . 0.0 110.074 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -75.87 -2.59 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.774 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 60.38 33.8 20.71 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.397 -173.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -92.03 117.83 30.2 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -96.59 130.3 43.81 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.945 0.402 . . . . 0.0 111.557 -169.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -120.36 144.92 47.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.824 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 38.7 t -110.43 123.62 50.22 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 175.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 67.5 mt -121.23 130.43 53.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.083 0.468 . . . . 0.0 111.757 -172.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.425 ' HG2' HG23 ' A' ' 81' ' ' THR . 35.4 tt0 -94.26 101.22 13.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.514 ' HG ' ' SD ' ' A' ' 33' ' ' MET . 64.1 tp -84.03 107.87 16.64 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.063 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.425 HG23 ' HG2' ' A' ' 79' ' ' GLU . 38.0 p -126.51 178.72 5.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.014 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -69.83 -15.23 63.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.159 0.504 . . . . 0.0 109.822 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.35 -5.22 59.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.81 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.3 -165.27 12.25 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.933 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.6 mp -98.79 125.59 44.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.899 0.38 . . . . 0.0 110.24 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -114.93 120.55 40.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.54 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -73.54 109.33 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.427 0.632 . . . . 0.0 110.603 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.459 HG21 HG22 ' A' ' 95' ' ' VAL . 6.3 m -100.77 12.03 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.533 -175.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.03 172.41 22.01 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.587 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -130.01 72.19 1.48 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.975 0.893 . . . . 0.0 110.572 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.53 160.37 10.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.327 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.454 ' HA ' ' OD1' ' A' ' 67' ' ' ASN . 0.3 OUTLIER -72.96 116.57 13.63 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.07 0.462 . . . . 0.0 111.005 -175.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 69.63 29.39 4.24 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.082 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -103.87 123.68 47.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.947 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.459 HG22 HG21 ' A' ' 88' ' ' VAL . 56.7 t -132.29 108.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.825 0.345 . . . . 0.0 110.767 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.529 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 9.6 t70 -94.26 116.78 29.22 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -82.54 -3.74 56.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.009 -172.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -101.73 4.92 41.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.005 0.431 . . . . 0.0 110.84 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.529 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 73.5 mt -82.04 123.0 28.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.045 173.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -103.72 31.34 4.49 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.246 0.546 . . . . 0.0 109.937 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.488 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 5.3 p -50.23 133.51 24.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.635 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 26.9 Cg_exo -62.66 145.99 95.2 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 123.109 2.54 . . . . 0.0 112.724 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -81.95 151.13 27.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.423 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -121.89 139.25 53.88 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.85 -63.09 1.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.37 0.419 . . . . 0.0 111.485 -171.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.5 p -106.43 154.5 20.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.939 0.399 . . . . 0.0 111.611 -177.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.14 -30.62 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.922 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -69.04 -47.92 64.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.598 -176.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.9 m -63.93 -31.92 73.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.676 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.93 -52.22 15.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.3 tp -60.72 -28.32 68.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.206 0.527 . . . . 0.0 110.02 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.12 -37.48 87.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.307 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 73.9 p -83.67 -10.35 58.24 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.666 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.7 mt -114.36 -17.28 11.83 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -169.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.468 ' HB2' HG21 ' A' ' 70' ' ' THR . 33.4 t -146.66 129.66 8.04 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.085 0.469 . . . . 0.0 111.763 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.86 -18.86 27.81 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.702 2.268 . . . . 0.0 111.598 173.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -68.18 -29.8 68.75 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.491 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.443 ' HA ' ' HB1' ' A' ' 47' ' ' ALA . 68.7 t80 -61.32 -42.85 99.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.804 174.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -73.64 -26.46 60.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.733 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.75 -58.33 6.56 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.31 69.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.556 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -57.71 -47.57 82.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.499 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.36 -41.66 99.37 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.837 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 128' ' ' GLN . 17.2 m120 -64.02 -38.7 92.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.493 178.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.481 ' O ' ' HD3' ' A' ' 129' ' ' ARG . . . -62.26 -44.06 97.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.82 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.0 mp -61.43 -49.17 77.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.428 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 pp -69.44 -28.27 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.202 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 124' ' ' ASN . 0.0 OUTLIER -71.68 -39.59 70.16 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.818 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 125' ' ' ALA . 7.7 mpt_? -61.85 -38.84 89.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 176.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.65 -42.63 77.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.33 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 0.2 OUTLIER -59.73 -46.22 89.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.185 174.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.16 -30.74 71.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.1 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.16 -38.92 86.28 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -67.48 -30.34 70.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.772 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 131' ' ' GLU . 64.5 mtt180 -84.86 -21.94 29.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.147 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -69.15 111.2 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.228 -174.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 175.17 -153.42 15.46 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.04 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -106.68 129.84 54.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.489 -179.112 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 ttm . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.786 0.327 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -90.87 99.45 12.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 p -67.92 -41.32 82.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.408 0.623 . . . . 0.0 110.524 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -149.97 97.57 2.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.386 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.18 -32.11 68.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.938 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -155.36 105.9 2.22 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.217 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.89 -73.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.583 2.189 . . . . 0.0 111.651 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -166.26 150.64 7.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -93.22 135.64 34.24 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -65.71 -26.98 68.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.214 -173.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.3 m -119.0 99.61 6.84 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 175.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.0 m -121.98 -45.82 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.715 0.293 . . . . 0.0 111.118 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.2 tpp -170.92 152.44 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 m -58.52 102.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.35 0.406 . . . . 0.0 110.107 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.64 130.4 4.37 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.592 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -150.7 92.31 1.82 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -90.58 109.08 20.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.416 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -69.4 -33.26 72.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.951 177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.0 70.4 0.27 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.601 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.4 m -75.72 87.12 2.76 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -57.33 -67.4 0.33 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.173 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 tt -139.94 -57.61 0.56 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -119.71 -44.93 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.89 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.47 10.08 80.41 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.383 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.729 ' HE2' ' HB2' ' A' ' 29' ' ' ASP . 1.5 t80 -87.29 82.71 7.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.137 0.494 . . . . 0.0 110.072 -178.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -99.31 102.98 14.76 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.337 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.01 -7.21 10.13 Favored Glycine 0 C--N 1.334 0.427 0 CA-C-N 115.887 -0.597 . . . . 0.0 113.64 174.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -63.01 -25.95 68.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.729 ' HB2' ' HE2' ' A' ' 25' ' ' PHE . 32.1 t70 -94.16 -8.13 40.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.712 0.291 . . . . 0.0 111.592 -176.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.8 mtt -73.7 113.96 11.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.335 0.588 . . . . 0.0 110.682 -175.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 46.3 mttp -108.02 173.65 6.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.347 -173.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.96 103.12 4.35 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 173.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.3 tpp -62.89 -19.98 64.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.618 0.723 . . . . 0.0 109.284 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -56.17 -32.82 64.67 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.15 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.73 -50.64 41.51 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.196 0.522 . . . . 0.0 109.994 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.61 -28.99 70.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.625 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -64.25 -50.77 66.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.454 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.75 -29.56 69.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.999 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.36 92.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.012 0.434 . . . . 0.0 109.921 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.439 HG13 HG21 ' A' ' 107' ' ' VAL . 73.1 t -62.34 -46.98 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.848 175.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 37' ' ' ALA . 58.3 t -52.3 -51.82 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.604 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -80.63 2.2 26.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.997 -174.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -100.92 -52.3 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.988 0.423 . . . . 0.0 110.485 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -89.16 2.48 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.733 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 66.6 tp -56.89 -35.88 69.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.221 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -79.63 -7.59 58.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.983 0.421 . . . . 0.0 111.166 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.56 -13.67 21.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.128 0.49 . . . . 0.0 110.834 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.1 m -122.71 -168.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.598 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' ND2' ' HA ' ' A' ' 71' ' ' LYS . 87.5 m-20 -98.02 -38.84 9.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.77 0.319 . . . . 0.0 111.079 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.549 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 50.1 t30 -145.37 148.44 33.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.519 ' HG2' HG23 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -164.9 118.62 1.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -175.034 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -162.7 162.93 27.1 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.781 0.324 . . . . 0.0 111.117 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.99 149.59 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.429 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.633 ' HA ' HD22 ' A' ' 67' ' ' ASN . 41.0 m -62.98 149.02 45.88 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.955 0.407 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -112.85 -13.09 13.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.394 -174.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.2 m -104.99 11.72 33.13 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.826 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mp -135.94 -157.2 0.77 Allowed 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.27 0.557 . . . . 0.0 110.131 -176.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -136.26 157.11 47.6 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.88 -174.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.1 p -112.27 91.17 3.56 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.81 80.96 5.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.588 -173.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.77 -83.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.06 0.85 . . . . 0.0 111.761 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.582 ' O ' ' HA ' ' A' ' 81' ' ' THR . 25.5 t70 -85.63 -22.45 27.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -171.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -105.3 126.97 60.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.282 0.563 . . . . 0.0 111.507 -176.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.26 118.88 19.09 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.39 173.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 82.1 m-85 -87.21 133.78 33.62 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.2 mt -129.96 144.86 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.426 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.633 HD22 ' HA ' ' A' ' 54' ' ' SER . 58.7 m-80 -105.35 139.09 40.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.391 . . . . 0.0 110.177 174.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.519 HG23 ' HG2' ' A' ' 51' ' ' MET . 7.4 p -133.14 134.13 57.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.061 0.458 . . . . 0.0 110.616 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 50' ' ' ASN . 36.1 tt0 -117.5 102.5 9.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.072 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.508 HG21 ' HB3' ' A' ' 115' ' ' SER . 74.1 p -70.51 -177.26 1.44 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.487 -175.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.402 ' HA ' ' ND2' ' A' ' 49' ' ' ASN . 57.0 mttm -77.97 -20.61 52.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.844 0.354 . . . . 0.0 111.115 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.56 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 1.3 mp0 -84.54 3.04 38.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 171.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 64.45 35.24 9.67 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.087 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.56 ' ND2' ' HB2' ' A' ' 72' ' ' GLU . 68.7 m-80 -89.76 132.4 35.23 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 172.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -95.59 135.09 37.7 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 177.496 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.471 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 87.9 m-85 -129.41 142.03 50.9 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.778 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.0 m -104.36 119.76 39.68 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.483 HD22 HD21 ' A' ' 110' ' ' LEU . 58.6 mt -111.32 133.94 53.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.28 0.562 . . . . 0.0 111.402 -173.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 32.6 tt0 -100.95 98.27 8.76 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.037 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.517 HD13 ' HG ' ' A' ' 85' ' ' LEU . 57.7 tp -87.07 118.65 26.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.582 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 21.0 p -140.52 -172.21 3.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.375 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.44 -24.63 56.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.941 0.401 . . . . 0.0 111.075 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.95 0.84 56.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.567 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.21 -146.04 16.37 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.894 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.517 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.1 mp -107.14 123.03 47.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.453 0.644 . . . . 0.0 110.948 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 103' ' ' TYR . 62.7 tttt -113.89 150.82 33.1 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.781 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.676 ' HB ' ' OG1' ' A' ' 101' ' ' THR . 66.0 t -97.56 125.05 50.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.547 ' HB ' HG13 ' A' ' 95' ' ' VAL . 25.0 m -114.02 4.39 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.755 0.312 . . . . 0.0 111.643 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.505 ' HA2' HD22 ' A' ' 99' ' ' LEU . . . 163.4 165.67 20.94 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.101 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -125.75 75.71 1.51 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.009 0.909 . . . . 0.0 110.539 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.418 ' HB3' ' CB ' ' A' ' 94' ' ' GLN . . . -166.11 -173.95 2.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.387 -1.279 . . . . 0.0 108.355 176.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -93.07 110.0 21.48 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 55.83 69.57 0.72 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.932 -174.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.418 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . 9.2 tp-100 -143.9 104.48 4.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.247 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.547 HG13 ' HB ' ' A' ' 88' ' ' VAL . 85.6 t -105.67 121.58 58.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.012 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -124.88 125.21 43.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.144 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.52 -4.43 26.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.827 -176.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -77.17 -19.11 57.24 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.505 HD22 ' HA2' ' A' ' 89' ' ' GLY . 7.8 mp -103.78 111.67 24.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.689 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.12 37.3 4.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.892 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.676 ' OG1' ' HB ' ' A' ' 87' ' ' VAL . 2.2 p -48.48 138.76 11.36 Favored Pre-proline 0 C--O 1.234 0.256 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.633 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -52.67 138.56 58.87 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 123.89 3.06 . . . . 0.0 113.613 -171.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.536 ' CD2' ' HB2' ' A' ' 86' ' ' LYS . 70.2 m-85 -62.77 129.41 40.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.049 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -97.01 144.43 26.91 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 121.049 -0.261 . . . . 0.0 110.41 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.05 -42.61 84.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.037 -172.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 61.8 p -130.34 162.22 29.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.518 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.439 HG21 HG13 ' A' ' 40' ' ' VAL . 11.4 p -69.66 -26.84 31.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 109.723 175.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -64.72 -48.53 74.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.953 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 113' ' ' THR . 27.2 t -68.45 -29.13 67.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.655 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.483 HD21 HD22 ' A' ' 78' ' ' LEU . 35.4 tp -72.36 -57.85 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.505 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.66 -24.5 67.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.7 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.42 -33.21 75.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.764 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 109' ' ' SER . 63.1 p -86.92 -10.05 54.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.364 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.6 mt -113.59 -28.38 7.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -171.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.508 ' HB3' HG21 ' A' ' 70' ' ' THR . 20.0 p -137.29 126.7 15.3 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.574 0.226 . . . . 0.0 111.065 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -73.08 -23.97 17.67 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.765 2.31 . . . . 0.0 112.946 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.91 -6.14 58.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.674 0.274 . . . . 0.0 111.113 -177.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.31 -50.98 69.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.156 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.92 -24.87 65.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.149 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -80.56 -37.99 30.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.94 -0.28 50.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.279 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.407 ' O ' HD13 ' A' ' 126' ' ' LEU . 77.9 t80 -57.32 -40.37 77.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.953 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.54 -33.23 86.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.489 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -65.96 -38.18 87.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.939 0.399 . . . . 0.0 110.257 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.82 88.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.433 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 122' ' ' PHE . 8.6 mp -64.67 -53.63 44.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.419 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 pp -65.89 -21.56 66.46 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.132 0.492 . . . . 0.0 111.003 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.909 ' HA ' HE21 ' A' ' 128' ' ' GLN . 0.0 OUTLIER -69.22 -24.64 64.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.798 -179.131 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 129' ' ' ARG . 3.0 mpt_? -56.08 -42.76 77.23 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.997 0.427 . . . . 0.0 110.671 177.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 130' ' ' LEU . 4.8 mp -80.14 -45.98 17.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.209 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.76 -44.17 97.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.467 -176.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.64 -33.19 75.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.487 0.184 . . . . 0.0 111.276 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 48.4 tp -70.83 -29.09 65.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -88.84 -25.5 22.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.637 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -72.35 -43.45 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.482 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.29 136.93 37.17 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -119.31 -147.52 8.09 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.39 -0.91 . . . . 0.0 112.896 -176.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -158.29 125.74 5.07 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.244 -175.658 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HG3' ' HG3' ' A' ' 2' ' ' GLU . 44.8 tpp . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 121.033 0.444 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.449 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 46.2 mt-10 -124.43 179.91 4.74 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.7 p -62.7 107.69 1.01 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -80.77 87.05 5.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.423 0.63 . . . . 0.0 110.981 -170.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 67.5 m -129.42 83.66 2.16 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.558 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -158.24 95.68 1.91 Allowed Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -91.04 12.64 2.3 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.146 2.564 . . . . 0.0 111.997 175.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.2 ptt? -136.52 -156.26 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.086 -177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -144.97 156.02 43.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.145 0.498 . . . . 0.0 110.736 174.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.6 tp -92.11 -58.38 2.41 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 170.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -161.31 80.54 0.6 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.574 -1.193 . . . . 0.0 108.056 170.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -120.97 29.2 7.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.453 -170.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.1 mmt -54.46 124.55 16.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.65 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -145.67 102.92 3.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.666 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.6 115.62 0.72 Allowed Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.37 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -147.33 18.02 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.821 0.343 . . . . 0.0 111.328 -175.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' CD ' ' H ' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -89.52 20.53 3.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.199 0.523 . . . . 0.0 110.614 -178.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.89 133.42 54.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.224 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.07 -32.33 7.6 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.4 -174.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.2 m -97.61 15.15 24.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.363 0.602 . . . . 0.0 109.703 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.66 19.95 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.202 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.3 mt -81.54 85.92 6.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.701 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.473 HD22 ' C ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER 71.16 -55.63 0.65 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.54 0.736 . . . . 0.0 111.954 174.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.72 43.69 7.16 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 -174.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -96.47 111.8 23.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.925 0.393 . . . . 0.0 110.825 -175.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -97.45 107.4 19.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.07 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.77 -30.17 6.23 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.763 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.5 m 66.85 93.3 0.07 Allowed 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.625 0.726 . . . . 0.0 111.049 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -76.26 -67.57 0.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.897 -174.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.1 mmt 68.01 -95.51 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 123.252 0.621 . . . . 0.0 111.715 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -148.67 123.39 9.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.559 0.219 . . . . 0.0 111.204 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.722 ' HA ' ' HA ' ' A' ' 61' ' ' ASP . 45.1 m-20 -84.2 136.72 33.84 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 33.4 tpp -71.77 -24.54 61.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.595 ' HD3' ' SG ' ' A' ' 59' ' ' CYS . 11.5 mmm180 -56.31 -38.48 71.33 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.448 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.549 ' HG ' ' HB2' ' A' ' 32' ' ' ASP . 5.8 mt -62.94 -57.09 11.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.313 0.577 . . . . 0.0 110.434 -176.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -68.0 -24.06 65.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.093 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -65.92 -52.02 53.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.2 -31.56 72.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.594 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.06 90.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.242 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.79 -47.17 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.738 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 51' ' ' MET . 76.7 t -53.42 -47.0 59.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.329 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -86.46 4.71 38.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.891 0.377 . . . . 0.0 111.564 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -101.37 -50.85 3.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.634 0.254 . . . . 0.0 111.067 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -104.38 17.38 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.48 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 51.8 tp -52.78 -37.28 59.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.125 -177.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -74.67 -14.68 60.78 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.504 ' O ' ' HE2' ' A' ' 71' ' ' LYS . . . -77.0 -24.66 52.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.191 0.519 . . . . 0.0 110.768 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.555 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.0 m -125.54 -167.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.799 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -76.78 -55.88 5.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -165.18 158.7 16.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.312 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.542 ' HB2' HG13 ' A' ' 41' ' ' VAL . 85.3 mtp -130.16 141.26 50.68 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -142.87 130.03 20.84 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.465 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.55 HG12 HG12 ' A' ' 66' ' ' ILE . 9.0 m -69.55 133.07 32.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.832 0.348 . . . . 0.0 110.542 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.416 ' HB3' HD13 ' A' ' 57' ' ' LEU . 35.7 m -63.42 142.8 58.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.865 -173.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -123.69 6.22 8.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.432 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 m -109.7 0.07 18.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.342 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD13 ' HB3' ' A' ' 54' ' ' SER . 4.9 mp -120.83 -93.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.316 -174.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -169.3 159.45 8.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.595 ' SG ' ' HD3' ' A' ' 34' ' ' ARG . 11.6 p 176.74 155.94 0.26 Allowed 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 123.798 0.686 . . . . 0.0 110.38 171.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -172.36 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.316 174.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.722 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 22.0 p-10 -121.95 -52.78 1.98 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.643 -170.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -83.78 -41.39 17.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.172 0.51 . . . . 0.0 111.201 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 59' ' ' CYS . 3.7 p -111.91 139.89 34.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.584 -171.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.81 111.03 3.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.009 173.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -86.02 130.86 34.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.55 HG12 HG12 ' A' ' 53' ' ' VAL . 49.7 mt -126.95 132.33 70.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.56 178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -97.88 120.23 37.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.1 p -112.24 123.71 68.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.942 0.401 . . . . 0.0 110.566 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.555 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 8.3 tp10 -106.85 115.44 30.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.812 177.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.46 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 80.4 p -79.89 170.08 17.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.654 -177.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 47' ' ' ALA . 66.9 mttm -66.06 -17.95 65.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.876 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -88.78 -6.14 57.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.12 23.51 2.66 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.838 0.828 . . . . 0.0 109.899 -175.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -102.19 105.6 16.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.259 173.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.79 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -108.33 150.54 27.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.059 0.456 . . . . 0.0 111.259 -167.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -133.88 149.57 51.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.25 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 69.2 m -100.81 122.49 43.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.421 HD13 HD23 ' A' ' 85' ' ' LEU . 83.2 mt -107.25 131.03 54.64 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.037 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.406 ' OE1' HG23 ' A' ' 63' ' ' VAL . 5.4 tp10 -93.42 107.26 19.12 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 172.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.4 tp -92.74 111.73 23.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.239 0.543 . . . . 0.0 109.912 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 p -140.42 -166.15 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.909 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.16 -9.87 58.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.992 0.425 . . . . 0.0 110.636 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.15 -4.24 59.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.293 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.78 -146.89 16.13 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.685 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.421 HD23 HD13 ' A' ' 78' ' ' LEU . 5.7 mp -102.91 110.26 22.11 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -113.66 110.21 19.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.028 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.64 127.71 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.162 0.506 . . . . 0.0 110.932 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 95' ' ' VAL . 6.0 m -122.38 4.06 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.117 -175.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.604 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -172.72 158.6 28.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 119.942 -1.123 . . . . 0.0 113.243 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -114.75 18.2 16.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.257 0.551 . . . . 0.0 110.285 -178.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 94' ' ' GLN . . . -142.63 162.7 34.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.363 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -67.39 129.56 40.28 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.493 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 63.67 22.97 13.34 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.011 0.819 . . . . 0.0 111.183 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.604 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 19.7 tp60 -106.18 109.2 21.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.51 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.506 HG22 HG23 ' A' ' 88' ' ' VAL . 60.8 t -131.65 127.66 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.835 0.35 . . . . 0.0 111.012 -177.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.539 ' OD2' ' HB3' ' A' ' 98' ' ' HIS . 5.1 t70 -136.81 113.81 10.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.468 177.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.76 -10.6 59.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.363 0.602 . . . . 0.0 111.087 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.539 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 19.8 t-80 -70.89 -18.52 62.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.008 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.4 mt -67.33 115.08 6.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.799 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -93.25 42.44 1.1 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.821 0.82 . . . . 0.0 109.981 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 6.8 p -69.46 138.8 88.97 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.546 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 14.1 Cg_exo -69.11 118.79 5.9 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.766 2.311 . . . . 0.0 111.991 178.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -80.38 162.47 24.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -126.07 155.41 41.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.563 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -73.72 -59.63 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.57 -172.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.7 p -102.45 158.42 16.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.052 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.6 p -71.84 -26.28 25.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.114 0.483 . . . . 0.0 109.967 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -65.42 -56.19 13.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.502 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.8 p -63.05 -33.47 75.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.719 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 114' ' ' LEU . 45.2 tp -63.58 -58.33 7.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.649 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.72 -18.05 65.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -81.27 -20.48 40.82 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 -177.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 63.7 m -90.3 -15.49 31.1 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 112.546 -2.115 . . . . 0.0 110.387 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 114' ' ' LEU . 3.8 mm? -102.79 -48.99 3.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.324 -174.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.7 m -126.09 133.58 25.08 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.699 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -75.06 -24.7 12.48 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.569 2.179 . . . . 0.0 111.832 176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.71 -8.65 53.69 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.61 -50.78 72.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.413 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -69.2 -23.58 63.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.913 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -67.32 -49.14 65.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.896 176.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.34 -33.97 58.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.224 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.6 -26.31 66.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.474 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' A' ' 126' ' ' LEU . . . -61.77 -17.52 54.56 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.463 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.96 -34.73 72.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.978 0.418 . . . . 0.0 110.263 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.76 77.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.616 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.43 HD13 ' HA2' ' A' ' 123' ' ' GLY . 7.6 mp -69.9 -44.12 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.18 -177.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.8 -23.87 62.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.933 0.397 . . . . 0.0 110.911 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -79.58 -41.85 26.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.17 0.509 . . . . 0.0 109.866 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -61.46 -31.81 71.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.364 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.485 ' HG ' ' HE3' ' A' ' 134' ' ' LYS . 48.8 tp -63.55 -30.04 71.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.998 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.46 ' HB3' ' NH1' ' A' ' 135' ' ' ARG . 64.3 mm-40 -65.15 -26.99 68.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -75.96 -31.71 59.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.822 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.07 -34.32 77.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.349 0.595 . . . . 0.0 110.105 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.485 ' HE3' ' HG ' ' A' ' 130' ' ' LEU . 92.6 mttt -72.55 -37.32 68.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.552 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.46 ' NH1' ' HB3' ' A' ' 131' ' ' GLU . 78.9 mtt85 -89.43 5.76 43.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.567 -177.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -67.76 -51.31 50.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.992 0.425 . . . . 0.0 110.775 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -149.23 -145.44 4.13 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.93 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -106.29 165.24 11.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.819 0.342 . . . . 0.0 110.645 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.079 177.194 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tmm? . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -128.42 76.36 1.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.413 0.625 . . . . 0.0 110.832 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m -112.06 21.52 15.8 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 174.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 5' ' ' CYS . 32.1 t70 64.52 -98.98 0.07 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.361 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 49.9 t 167.78 -31.48 0.0 OUTLIER 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.55 0.531 . . . . 0.0 110.391 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.9 t30 60.63 65.05 2.23 Favored Pre-proline 0 N--CA 1.464 0.258 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.525 -173.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -96.53 23.38 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.385 2.723 . . . . 0.0 113.018 -173.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.8 tpt -96.55 -52.82 3.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.204 0.526 . . . . 0.0 110.431 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -95.34 159.1 15.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.39 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 tp -84.28 89.97 7.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.184 0.516 . . . . 0.0 109.667 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -81.78 89.92 6.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.927 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 t -95.11 92.93 7.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.843 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.0 ptp -160.99 -178.91 7.11 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.899 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.2 m 59.05 79.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.934 0.771 . . . . 0.0 111.241 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.03 -85.79 0.45 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.282 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -137.32 140.58 41.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.851 0.358 . . . . 0.0 110.167 174.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -79.57 91.41 5.19 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.897 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -73.83 -41.61 62.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.128 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.57 -119.92 0.9 Allowed Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.727 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -145.94 128.22 15.8 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -101.41 179.95 4.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.399 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 tt -71.29 -79.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.441 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -175.52 156.67 1.98 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.27 38.37 3.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.845 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -138.5 135.61 35.3 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -103.34 103.32 13.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.989 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.62 -101.21 0.03 OUTLIER Glycine 0 C--N 1.337 0.596 0 O-C-N 123.884 0.74 . . . . 0.0 113.932 173.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.8 m 73.05 -73.26 0.1 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.125 0.57 . . . . 0.0 111.376 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -109.84 -28.2 8.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.008 0.432 . . . . 0.0 110.865 -178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -76.94 163.01 27.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.179 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -121.26 74.02 1.07 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.704 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' OD2' ' HB3' ' A' ' 34' ' ' ARG . 24.3 t70 -65.87 111.93 3.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.078 0.466 . . . . 0.0 110.235 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 30.8 tpp -68.94 -12.58 61.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.04 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.55 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 59.6 ttp85 -71.09 -23.1 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.457 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.02 -45.45 77.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 mm-40 -63.15 -30.37 71.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.3 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -69.1 -49.15 59.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.409 -178.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 43.6 mm-40 -58.29 -40.75 82.75 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.299 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.12 84.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.795 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.435 ' O ' HG22 ' A' ' 44' ' ' VAL . 74.5 t -64.29 -49.46 80.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.137 178.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.577 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 73.0 t -56.05 -41.65 69.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.535 -177.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -77.27 -30.72 54.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.86 0.362 . . . . 0.0 111.147 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -75.68 -47.22 27.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.91 -172.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.7 m -106.86 15.5 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.6 tp -55.94 -38.4 70.27 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.944 0.402 . . . . 0.0 111.698 -178.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.551 ' HE2' ' HA ' ' A' ' 122' ' ' PHE . 24.7 p90 -73.15 -10.66 60.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.403 -175.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 118' ' ' TYR . . . -83.88 -21.56 31.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 111.227 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.609 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 31.6 m -119.89 -167.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.376 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -84.54 -58.45 2.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -143.95 160.58 40.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.193 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.0 ttt -163.55 137.27 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.491 0.186 . . . . 0.0 110.694 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -162.34 149.73 13.88 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.492 HG21 ' HG3' ' A' ' 34' ' ' ARG . 7.4 p -61.85 145.87 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.449 ' HB3' HD13 ' A' ' 57' ' ' LEU . 31.6 m -63.02 137.39 58.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.019 0.438 . . . . 0.0 110.502 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -107.87 -4.1 18.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.503 -171.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -110.3 7.83 23.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.017 0.437 . . . . 0.0 110.974 -174.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' A' ' 54' ' ' SER . 5.0 mp -128.97 -148.63 0.38 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.888 -174.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -142.19 161.55 37.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -171.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 24.7 p -132.61 95.35 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.442 0.639 . . . . 0.0 110.099 173.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.05 72.56 5.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.277 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 33' ' ' MET . 0.7 OUTLIER 60.21 -84.9 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.258 -176.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.628 ' O ' ' HA ' ' A' ' 81' ' ' THR . 21.3 t70 -66.33 -34.72 78.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.063 -171.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 6.5 p -107.16 122.4 61.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.987 0.422 . . . . 0.0 111.81 -174.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 33' ' ' MET . . . -134.02 127.38 32.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.021 172.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -89.8 129.81 36.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.047 0.451 . . . . 0.0 110.827 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 56.1 mt -115.66 138.25 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.377 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -104.09 132.1 50.68 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 11.6 p -141.84 141.11 29.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.085 0.469 . . . . 0.0 111.154 -173.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.609 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 44.9 tt0 -123.71 109.06 13.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.19 178.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.544 HG22 ' HB2' ' A' ' 115' ' ' SER . 56.1 p -63.0 170.81 2.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.282 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -74.84 -2.64 27.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.754 0.312 . . . . 0.0 111.303 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -95.93 3.53 53.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 171.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 66.97 15.19 10.1 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.76 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 114.8 17.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 171.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.556 ' HD2' ' HD1' ' A' ' 92' ' ' PHE . 53.8 mtm180 -96.05 136.08 36.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.952 0.406 . . . . 0.0 110.42 -177.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -129.6 148.59 51.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.112 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 98.6 m -108.59 116.86 32.77 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 173.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.442 HD13 HD21 ' A' ' 110' ' ' LEU . 31.1 mt -106.15 132.99 51.56 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.701 -172.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -94.66 101.01 12.85 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 85' ' ' LEU . 63.4 tp -87.12 115.49 24.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.294 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.628 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 9.5 p -124.87 164.88 19.11 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.036 174.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.04 -26.67 68.66 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.882 0.373 . . . . 0.0 111.012 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.75 -6.49 59.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 139.86 -176.84 20.96 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.204 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.645 HD23 HD13 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -127.42 145.71 50.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.76 0.314 . . . . 0.0 111.083 -178.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.403 ' HG2' ' HD1' ' A' ' 103' ' ' TYR . 0.3 OUTLIER -132.53 160.81 35.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.109 -179.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.1 t -87.59 110.83 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.12 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.535 ' HB ' HG13 ' A' ' 95' ' ' VAL . 17.8 m -109.59 1.55 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.028 0.442 . . . . 0.0 111.589 -178.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.579 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -165.94 162.51 36.0 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.015 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -137.76 45.8 2.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.703 0.763 . . . . 0.0 110.5 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -150.27 -167.59 2.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.544 176.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.556 ' HD1' ' HD2' ' A' ' 75' ' ' ARG . 4.9 t80 -95.12 104.44 16.32 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.84 62.92 1.19 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.23 -174.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.579 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 21.2 tm0? -143.71 115.53 8.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.497 -176.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.535 HG13 ' HB ' ' A' ' 88' ' ' VAL . 71.1 t -123.47 116.29 47.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.682 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.546 ' HB3' HD13 ' A' ' 99' ' ' LEU . 33.9 t70 -107.46 141.28 39.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.238 0.542 . . . . 0.0 111.349 -174.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.93 -22.9 65.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.256 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.401 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 54.7 m80 -84.75 -8.87 58.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -170.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.546 HD13 ' HB3' ' A' ' 96' ' ' ASP . 8.5 mp -77.65 109.39 11.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.265 0.555 . . . . 0.0 110.61 175.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -107.09 70.75 0.81 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.21 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 13.1 p -93.54 157.14 38.97 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.55 -174.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 3.3 Cg_exo -80.53 -166.15 0.39 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.99 2.46 . . . . 0.0 111.307 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.403 ' HD1' ' HG2' ' A' ' 86' ' ' LYS . 10.7 m-85 -107.32 167.74 9.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.284 0.564 . . . . 0.0 111.087 -175.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -134.58 143.16 47.21 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 164.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.45 -61.25 1.99 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.231 0.539 . . . . 0.0 110.989 -174.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.0 m -122.95 150.68 42.65 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.503 -172.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.56 -25.67 37.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.871 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -63.91 -49.34 73.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.3 m -65.41 -38.74 90.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.068 0.461 . . . . 0.0 110.661 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.498 HD22 HD13 ' A' ' 85' ' ' LEU . 11.3 tp -63.94 -49.7 71.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.335 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.488 HD11 ' CG1' ' A' ' 48' ' ' VAL . 22.5 tp -62.54 -32.98 74.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -174.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.11 -39.55 93.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.171 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.9 p -67.35 -19.57 65.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.248 0.547 . . . . 0.0 111.073 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 47.7 mt -104.08 -45.38 4.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.149 -175.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.544 ' HB2' HG22 ' A' ' 70' ' ' THR . 22.9 t -125.86 99.0 32.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.297 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.93 -16.11 52.95 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.825 2.35 . . . . 0.0 112.169 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.44 -8.15 53.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.396 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.451 ' HA ' ' HB1' ' A' ' 47' ' ' ALA . 6.6 t80 -57.96 -45.08 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.459 175.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -70.1 -38.92 75.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.247 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.38 -50.35 68.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.941 0.401 . . . . 0.0 110.61 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.88 95.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.183 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.551 ' HA ' ' HE2' ' A' ' 46' ' ' PHE . 73.4 t80 -64.11 -45.85 86.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.047 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.13 -40.48 99.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.398 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.408 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 9.9 t30 -70.54 -39.31 74.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.881 0.372 . . . . 0.0 110.786 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.98 -30.66 68.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.139 0.495 . . . . 0.0 110.708 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 33.8 tp -68.4 -43.41 77.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.061 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 124' ' ' ASN . 4.5 pp -71.4 -9.73 58.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.652 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -62.13 -27.18 68.76 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.816 0.341 . . . . 0.0 110.097 175.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -64.28 -28.78 69.95 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.346 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 86.6 mt -83.21 -28.1 29.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.033 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -71.62 -45.56 61.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.113 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.55 -30.12 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.752 177.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 58.7 tp -69.38 -49.22 57.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.817 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -71.04 -32.72 69.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.659 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -77.43 -14.46 59.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.64 0.257 . . . . 0.0 111.192 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.12 -39.56 71.95 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 174.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.9 -109.61 3.01 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.337 -0.847 . . . . 0.0 113.021 174.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -104.36 11.5 34.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.25 1.082 0 O-C-N 123.755 0.659 . . . . 0.0 110.321 -175.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.2 mtt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 49.33 -154.75 0.1 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 123.883 0.74 . . . . 0.0 112.464 172.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 m -79.19 78.07 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.279 0.561 . . . . 0.0 110.188 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -109.41 -39.07 5.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.428 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.1 p -109.3 138.93 44.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.644 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -133.93 134.68 23.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.504 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.94 101.39 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.558 2.172 . . . . 0.0 112.636 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.5 mmm -103.95 2.09 32.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.083 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -83.95 30.31 0.52 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.576 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.6 tp 61.64 23.62 13.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.62 0.724 . . . . 0.0 110.517 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 t -93.39 178.6 5.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.978 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 t -143.9 -170.89 3.43 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.7 mtt -63.38 108.43 1.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.986 0.422 . . . . 0.0 110.373 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.5 m -94.86 6.05 50.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.146 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.24 151.24 18.73 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.2 p90 39.45 59.55 1.75 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.569 0.747 . . . . 0.0 112.251 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -78.04 110.61 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.258 -177.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -85.64 150.88 24.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.373 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.03 110.44 2.86 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.879 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.1 m -76.54 135.32 39.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.036 0.446 . . . . 0.0 111.122 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -92.56 -17.17 24.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.102 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.55 127.61 32.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.102 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -104.96 158.71 16.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.936 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.47 143.55 28.32 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.496 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -60.66 -43.99 96.98 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.245 0.545 . . . . 0.0 109.573 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -74.89 86.68 2.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.601 172.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 165.49 -41.73 0.28 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -176.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 m -91.84 81.4 5.2 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -77.06 -39.99 47.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.342 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.6 tpt -135.12 151.34 50.62 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -113.6 95.82 5.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.244 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.545 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 1.1 m-20 -59.95 107.28 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.516 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.611 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 30.2 tpp -66.47 -18.31 65.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.419 . . . . 0.0 110.86 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.501 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 9.8 mtp180 -68.45 -27.72 66.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.6 -178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 32' ' ' ASP . 6.6 mt -70.44 -46.6 63.55 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 176.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 40' ' ' VAL . 5.3 mm-40 -58.93 -34.67 72.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.114 175.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -67.03 -53.7 28.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.271 -176.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.3 -30.47 70.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.161 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.85 86.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.338 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.498 HG13 HG11 ' A' ' 107' ' ' VAL . 55.0 t -60.31 -45.71 95.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.997 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.662 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 85.0 t -53.08 -57.46 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.829 -177.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -70.46 -27.89 64.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.658 0.266 . . . . 0.0 111.334 -174.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -73.92 -49.18 25.92 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 m -116.38 19.6 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.662 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 8.4 tt -60.38 -32.78 71.63 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -65.25 -11.82 45.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.531 -175.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HA ' ' CB ' ' A' ' 121' ' ' ALA . . . -86.29 -10.45 54.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.683 0.278 . . . . 0.0 111.261 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.723 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.2 m -134.63 -168.66 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.149 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -81.96 -47.93 12.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.193 0.52 . . . . 0.0 110.267 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -160.57 154.82 23.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.04 -174.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.639 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 22.4 ttm -153.02 139.25 18.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -157.91 151.36 23.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.529 0.204 . . . . 0.0 110.581 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.0 p -76.86 141.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.369 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.404 ' CB ' HD23 ' A' ' 57' ' ' LEU . 13.9 m -80.84 122.03 26.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.11 0.481 . . . . 0.0 111.476 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -113.78 18.58 17.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.688 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 m -135.36 18.54 3.38 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -172.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 93' ' ' ASP . 7.1 tp -130.01 -83.95 0.54 Allowed 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 113.302 -1.772 . . . . 0.0 109.832 -162.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.517 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER 173.29 141.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 168.053 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.4 p -145.85 80.19 1.58 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.654 0.74 . . . . 0.0 111.456 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 62' ' ' ASP . . . -86.86 102.44 14.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 169.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.611 ' O ' ' HB2' ' A' ' 33' ' ' MET . 25.8 m-20 -32.67 -16.0 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -164.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 60' ' ' ALA . 9.7 t70 -64.56 -25.61 68.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 119.315 0.961 . . . . 0.0 109.106 166.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.2 p -142.12 142.07 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.233 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.67 123.78 8.81 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 47.0 m-85 -86.25 140.92 29.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.448 0.642 . . . . 0.0 111.404 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 55.2 mt -119.93 134.3 63.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.591 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.797 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 93.9 m-20 -96.29 106.25 18.44 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.911 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.504 ' HB ' ' HG3' ' A' ' 51' ' ' MET . 11.4 p -112.88 135.7 51.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.928 0.394 . . . . 0.0 110.337 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.723 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 26.8 tt0 -115.87 115.74 26.76 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.698 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.8 p -63.34 171.2 2.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -68.24 -14.56 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.715 0.293 . . . . 0.0 111.433 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -93.29 8.99 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.005 0.431 . . . . 0.0 110.292 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 71.64 6.78 5.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.426 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -77.71 122.95 26.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 90' ' ' TYR . 3.4 mtm-85 -96.45 146.4 24.81 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.044 0.449 . . . . 0.0 111.223 -172.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -131.58 114.17 14.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.577 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.439 ' O ' HG22 ' A' ' 88' ' ' VAL . 13.9 t -81.64 108.51 15.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 78.6 mt -100.5 133.01 45.57 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.143 0.497 . . . . 0.0 111.436 -172.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 41.1 tt0 -93.53 98.82 11.43 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.196 176.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.39 114.63 20.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.851 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.446 HG23 ' HG2' ' A' ' 79' ' ' GLU . 26.1 p -132.94 179.63 6.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.178 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -72.38 -9.15 58.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.02 0.438 . . . . 0.0 110.618 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.34 0.86 46.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.62 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.46 -158.68 14.32 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.693 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' HB2' HD22 ' A' ' 110' ' ' LEU . 6.3 mp -110.51 127.13 55.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.03 0.443 . . . . 0.0 110.579 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.582 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 81.5 tttt -114.58 154.45 28.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.935 -178.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.535 ' HB ' ' OG1' ' A' ' 101' ' ' THR . 50.1 t -103.21 116.06 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 121.95 -0.469 . . . . 0.0 110.146 177.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.499 HG21 HG22 ' A' ' 95' ' ' VAL . 34.6 m -111.01 -11.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -168.96 163.11 36.9 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 119.578 -1.296 . . . . 0.0 113.327 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 75' ' ' ARG . 65.4 m-85 -99.76 11.21 39.83 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.77 173.01 12.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.927 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.797 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 46.2 m-85 -72.02 127.28 32.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.339 -178.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.587 ' HA ' HD22 ' A' ' 57' ' ' LEU . 1.7 m-20 64.14 24.36 13.43 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.227 0.537 . . . . 0.0 110.688 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.468 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 20.8 tp60 -100.86 103.45 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.129 -178.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.499 HG22 HG21 ' A' ' 88' ' ' VAL . 94.5 t -110.1 101.6 12.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.539 ' HB3' HD13 ' A' ' 99' ' ' LEU . 10.7 t70 -101.49 145.09 29.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.709 -173.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.83 -14.2 60.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.199 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -92.87 9.25 36.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.342 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' A' ' 96' ' ' ASP . 6.7 mp -120.41 102.41 8.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.228 0.537 . . . . 0.0 111.824 174.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.22 40.26 3.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.594 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.535 ' OG1' ' HB ' ' A' ' 87' ' ' VAL . 46.7 p -54.75 151.62 14.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.838 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.38 120.5 8.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.905 2.403 . . . . 0.0 112.422 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -84.31 145.36 28.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.103 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -110.49 155.23 22.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.003 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.569 ' HG2' HG23 ' A' ' 106' ' ' THR . 0.0 OUTLIER -67.73 -38.01 82.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.787 -173.272 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.569 HG23 ' HG2' ' A' ' 105' ' ' GLU . 23.5 p -121.68 153.63 37.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.748 0.308 . . . . 0.0 111.429 -176.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.498 HG11 HG13 ' A' ' 40' ' ' VAL . 11.0 p -68.58 -27.12 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -62.19 -56.35 19.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.981 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.9 m -77.42 -3.16 38.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.528 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.443 HD22 ' HB2' ' A' ' 85' ' ' LEU . 51.4 tp -95.98 -55.34 3.01 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.999 -0.438 . . . . 0.0 110.724 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.485 ' HA ' HD12 ' A' ' 114' ' ' LEU . 14.5 tp -62.33 -26.62 68.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.144 0.497 . . . . 0.0 109.88 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.64 -26.89 67.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.198 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 44.6 p -90.87 -2.41 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.347 0.594 . . . . 0.0 110.576 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 111' ' ' LEU . 37.8 mt -110.0 -35.55 6.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.923 -175.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -143.07 111.69 5.61 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.564 0.221 . . . . 0.0 110.945 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.66 -21.79 48.98 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.242 2.628 . . . . 0.0 113.078 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.96 -6.4 38.4 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.656 0.265 . . . . 0.0 111.277 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.42 ' CD1' HD23 ' A' ' 111' ' ' LEU . 77.8 t80 -57.24 -54.9 41.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.531 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -63.45 -41.67 98.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.193 -175.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -62.14 -48.18 81.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.243 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 47' ' ' ALA . . . -61.35 -46.1 91.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -59.84 -49.6 77.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.52 -42.08 99.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.474 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -72.11 -26.73 62.24 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.762 -0.258 . . . . 0.0 111.019 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 129' ' ' ARG . . . -62.28 -36.7 82.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.715 0.293 . . . . 0.0 110.547 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.69 -43.83 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.401 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.3 pp -80.36 -30.33 37.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.75 0.31 . . . . 0.0 111.196 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -72.37 -29.69 64.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.273 0.559 . . . . 0.0 109.705 177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 125' ' ' ALA . 1.5 tpt180 -57.6 -39.99 78.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.817 176.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.08 -46.98 84.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.608 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.54 ' HA ' ' HD3' ' A' ' 134' ' ' LYS . 71.5 mm-40 -63.35 -39.35 94.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.16 83.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.82 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 91.1 mt -68.16 -17.47 64.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.087 0.47 . . . . 0.0 111.063 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.54 ' HD3' ' HA ' ' A' ' 131' ' ' GLU . 54.5 mtpt -88.71 -7.81 55.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.197 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.499 ' HD3' ' O ' ' A' ' 131' ' ' GLU . 11.0 mpt_? -95.15 -1.84 51.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.934 0.397 . . . . 0.0 110.744 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -140.29 137.34 34.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.568 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -135.99 20.43 3.61 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.288 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -142.74 100.36 3.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.695 0.283 . . . . 0.0 110.403 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.354 179.324 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 ttm . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.805 0.336 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -80.78 92.93 6.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.275 0.559 . . . . 0.0 110.569 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -99.89 44.7 1.01 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.737 0.78 . . . . 0.0 109.327 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.4 t70 69.81 101.94 0.06 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.33 -174.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 67.4 m -81.83 129.31 34.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.256 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -65.08 152.23 91.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.011 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.96 100.07 0.08 OUTLIER 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.968 2.445 . . . . 0.0 112.8 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.0 ttp -92.29 102.3 14.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.629 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -96.41 165.61 12.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.066 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 mp -76.09 111.26 11.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.902 0.382 . . . . 0.0 110.314 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.8 p -159.32 163.72 35.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.083 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 p -71.9 136.84 47.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.787 0.327 . . . . 0.0 110.197 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 ptp -120.04 178.89 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.077 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.1 t -134.93 151.18 50.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.924 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.72 -68.52 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.172 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -140.28 34.78 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -86.73 95.63 9.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.205 -169.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -118.14 -21.62 8.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.832 0.348 . . . . 0.0 110.791 174.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.26 -57.92 4.22 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.818 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.2 m -85.9 -162.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.641 ' HB3' ' HE2' ' A' ' 25' ' ' PHE . 2.8 mp0 -57.46 132.2 52.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.407 176.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.07 117.42 13.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.824 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.3 t30 68.71 151.77 0.09 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.35 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.64 107.36 2.22 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.405 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.641 ' HE2' ' HB3' ' A' ' 21' ' ' GLU . 99.4 m-85 -74.43 -26.67 60.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.319 0.58 . . . . 0.0 109.86 175.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -94.05 140.04 30.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.472 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.58 16.54 35.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.171 -175.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.8 t -170.8 179.87 3.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -115.83 153.93 30.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.346 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 85.8 mmm -77.29 106.61 9.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.041 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -120.22 33.25 5.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.361 -175.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 7.0 m-20 -65.08 127.4 31.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.832 176.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.574 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 19.5 tpp -63.14 -34.02 76.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.156 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -37.79 76.55 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.407 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 25.3 tp -58.24 -59.56 5.13 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.882 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.6 mm-40 -61.09 -29.52 69.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.583 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -63.29 -40.84 98.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.259 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -59.68 -45.38 92.25 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.038 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.42 85.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.815 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.547 HG13 HG11 ' A' ' 107' ' ' VAL . 54.7 t -58.45 -52.01 64.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.654 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 37' ' ' ALA . 94.5 t -57.54 -41.15 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.86 -175.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -81.15 -16.4 53.05 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -176.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -91.74 -48.01 7.04 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.513 -176.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 40' ' ' VAL . 32.6 m -94.23 5.74 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 62.8 tp -57.56 -29.23 64.24 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 111.8 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -71.76 -21.35 61.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.338 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.25 -5.68 58.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.917 0.389 . . . . 0.0 111.483 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.657 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.7 m -132.42 -170.8 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.165 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -89.43 -60.07 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.055 0.455 . . . . 0.0 109.861 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.69 156.54 48.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.94 -177.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.2 ttt -166.49 132.36 2.35 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -158.58 154.86 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.936 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.563 HG12 HG12 ' A' ' 66' ' ' ILE . 14.3 m -72.88 131.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.595 ' CB ' HD12 ' A' ' 57' ' ' LEU . 20.3 m -67.13 130.35 42.84 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.315 0.579 . . . . 0.0 111.215 -174.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -105.65 7.46 32.69 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.271 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.464 ' HB3' ' OD1' ' A' ' 93' ' ' ASP . 46.3 t -106.24 -0.81 24.19 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 173.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 65' ' ' TYR . 40.2 mt -114.22 -153.49 0.52 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.057 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.0 ptt-85 -131.9 147.94 52.5 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.997 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.5 m -153.81 151.75 29.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.039 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.84 -77.8 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.334 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.574 ' O ' ' HB2' ' A' ' 33' ' ' MET . 18.1 p30 -148.98 -41.37 0.15 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.21 -175.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.16 -37.31 54.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.16 0.505 . . . . 0.0 111.299 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 p -131.04 147.57 33.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.032 -173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . . . -142.63 108.66 5.2 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.033 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.633 ' HB3' HD13 ' A' ' 57' ' ' LEU . 42.1 m-85 -86.53 111.44 20.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.056 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.563 HG12 HG12 ' A' ' 53' ' ' VAL . 53.2 mt -117.09 133.39 63.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.037 -176.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -100.34 126.83 46.74 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.4 p -131.37 148.33 32.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.318 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.657 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 35.7 tt0 -134.1 115.39 14.22 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.6 p -64.61 169.43 4.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.74 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -69.89 -13.91 62.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.136 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -86.7 10.89 14.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.586 174.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 67.05 19.45 10.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.149 173.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -103.62 130.25 51.02 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.734 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -103.95 151.89 22.64 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.464 -172.438 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -137.54 144.97 42.37 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.655 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.6 m -101.54 120.15 39.86 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 169.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' CD2' HG12 ' A' ' 87' ' ' VAL . 60.9 mt -104.02 127.13 51.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.896 0.379 . . . . 0.0 111.034 -175.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -94.39 95.6 8.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.464 HD13 ' HG ' ' A' ' 85' ' ' LEU . 61.5 tp -85.53 118.41 25.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.594 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 p -137.27 -179.13 5.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.343 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -77.14 2.54 14.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.009 0.433 . . . . 0.0 110.382 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.85 0.09 35.01 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.27 -176.79 16.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.296 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.464 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.1 mp -99.87 111.13 23.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.755 0.312 . . . . 0.0 110.363 178.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.613 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 25.3 ttpp -114.64 128.57 56.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.113 178.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.517 HG12 ' CD2' ' A' ' 78' ' ' LEU . 17.7 m -75.02 136.41 25.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.823 0.344 . . . . 0.0 110.097 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.473 HG21 HG22 ' A' ' 95' ' ' VAL . 15.9 m -119.32 -1.52 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.572 -177.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.89 157.82 27.3 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.193 -1.004 . . . . 0.0 112.579 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.19 22.73 12.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.751 0.786 . . . . 0.0 110.219 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -128.41 -168.46 1.91 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.068 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -92.81 126.0 37.69 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.464 ' OD1' ' HB3' ' A' ' 56' ' ' SER . 35.2 m-20 59.33 52.73 5.74 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.755 0.659 . . . . 0.0 110.97 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -124.23 123.37 40.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.609 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.473 HG22 HG21 ' A' ' 88' ' ' VAL . 93.3 t -128.95 108.71 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.043 0.449 . . . . 0.0 110.844 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.413 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 12.0 t70 -105.01 127.04 52.69 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.315 175.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -90.14 -11.58 40.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.114 0.483 . . . . 0.0 110.928 -174.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -78.73 -31.33 46.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.917 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.413 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 55.9 mt -53.94 120.86 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.863 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.2 86.75 2.41 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 173.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.8 p -107.46 149.26 38.6 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.463 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -65.62 114.05 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.124 1.883 . . . . 0.0 112.896 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.613 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 3.2 p90 -74.84 117.78 17.07 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.291 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -88.15 153.0 21.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.831 -172.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.536 ' HG2' HG23 ' A' ' 106' ' ' THR . 9.5 tt0 -49.75 -61.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 124.746 1.279 . . . . 0.0 111.702 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.536 HG23 ' HG2' ' A' ' 105' ' ' GLU . 5.2 p -130.62 166.2 21.17 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.827 -175.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.547 HG11 HG13 ' A' ' 40' ' ' VAL . 12.5 p -66.8 -27.97 41.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.008 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -66.56 -50.01 64.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.399 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 p -69.25 -36.28 76.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.45 -51.55 55.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.292 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.472 HD21 HG13 ' A' ' 48' ' ' VAL . 13.5 tp -65.0 -26.04 68.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 0.0 110.063 -176.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.76 -29.19 67.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.983 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.2 p -86.88 -11.43 50.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.355 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.9 mt -114.9 -26.51 7.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.7 t -123.1 103.59 36.15 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.876 0.369 . . . . 0.0 110.483 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.02 19.52 0.42 Allowed 'Trans proline' 0 N--CA 1.471 0.177 0 C-N-CA 123.415 2.743 . . . . 0.0 112.015 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -119.0 -0.14 11.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.793 172.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -65.04 -47.56 76.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.775 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.665 ' HD3' ' H ' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -62.83 -48.29 79.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.528 0.68 . . . . 0.0 109.713 -179.15 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -58.64 -47.26 85.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.964 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.17 94.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.27 -47.22 85.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.281 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.47 -35.14 91.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.753 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -64.59 -39.3 93.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.497 0.189 . . . . 0.0 111.007 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.2 -37.69 83.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.035 0.445 . . . . 0.0 110.788 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.94 -48.14 75.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.959 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 pp -74.14 -17.35 60.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.799 0.333 . . . . 0.0 110.944 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -43.5 40.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.332 -0.395 . . . . 0.0 109.971 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.459 ' O ' ' HG ' ' A' ' 133' ' ' LEU . 3.2 ptm180 -70.63 -15.05 62.7 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.3 tp -65.53 -22.95 66.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.083 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -82.29 -35.03 28.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.149 0.5 . . . . 0.0 109.92 174.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.63 84.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.401 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 129' ' ' ARG . 97.6 mt -62.23 -41.47 98.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.805 177.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -61.73 -36.21 80.32 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.264 0.554 . . . . 0.0 110.584 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 135' ' ' ARG . 25.0 mtp180 -83.98 -5.65 59.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.367 -175.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -94.8 142.48 27.42 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.66 -65.65 3.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.44 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -143.25 100.06 3.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.119 0.485 . . . . 0.0 110.634 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.275 178.708 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.179 0.038 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.679 ' HG3' ' H ' ' A' ' 4' ' ' ASP . 10.5 tp10 67.64 151.9 0.08 Allowed 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.666 0.604 . . . . 0.0 111.25 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 t -119.91 5.84 10.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.643 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.679 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 21.0 t70 -115.8 147.37 41.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.137 -177.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.3 p -143.3 69.76 1.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.742 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.7 t30 67.79 96.3 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.324 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.494 -177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -76.04 -79.57 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.863 2.375 . . . . 0.0 113.835 -174.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 mmt -115.47 169.83 8.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 111.054 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -83.1 124.57 30.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.123 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.491 ' HG ' ' H ' ' A' ' 11' ' ' SER . 30.3 tp -73.0 173.24 9.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.853 178.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.491 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 5.7 m -62.07 -14.56 37.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.238 0.542 . . . . 0.0 111.434 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -145.04 151.95 39.35 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 172.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 65.9 mtt -70.09 109.65 4.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.701 0.286 . . . . 0.0 110.909 -174.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.3 m 67.78 18.76 9.72 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.294 -173.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.36 -176.5 51.95 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -174.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -79.65 96.17 6.13 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -51.11 -56.8 10.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.537 -175.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -169.01 148.49 4.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.7 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.77 34.51 5.08 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.939 -175.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.42 ' HB3' ' HG ' ' A' ' 22' ' ' LEU . 29.1 m -68.91 -34.08 74.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.385 0.136 . . . . 0.0 110.829 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 54.6 40.59 31.96 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.652 0.595 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.42 ' HG ' ' HB3' ' A' ' 20' ' ' SER . 79.9 mt -78.95 125.5 29.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.408 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -75.86 94.0 3.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.05 0.452 . . . . 0.0 110.163 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.38 91.42 2.13 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.909 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -86.34 106.48 17.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.883 0.373 . . . . 0.0 110.566 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -92.06 -65.99 0.96 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.925 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.09 -47.24 3.49 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.719 172.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 m -81.51 75.11 8.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.278 0.561 . . . . 0.0 111.584 -174.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -80.16 -51.83 8.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 171.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 57.7 ttp 58.38 89.44 0.05 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.877 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 20.2 tptm -130.39 139.42 50.63 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 174.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.505 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 12.0 m-20 -65.92 113.99 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.324 -0.55 . . . . 0.0 109.988 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 33.8 tpp -63.52 -32.23 73.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.283 0.563 . . . . 0.0 109.858 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -68.69 -30.42 69.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.814 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.505 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 16.9 tp -67.04 -57.47 6.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.615 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 40' ' ' VAL . 47.2 mm-40 -59.18 -31.92 69.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.17 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -62.66 -48.69 78.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.81 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.35 -37.48 87.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.4 84.93 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.348 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.512 HG13 HG11 ' A' ' 107' ' ' VAL . 52.8 t -59.54 -49.69 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.164 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.447 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 62.0 t -56.06 -47.45 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.284 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.404 HD22 ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -67.27 -36.84 82.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.818 0.342 . . . . 0.0 110.593 -178.701 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.61 -48.82 65.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.723 -173.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 40' ' ' VAL . 35.9 m -103.5 16.45 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 111.713 -175.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.1 tp -56.75 -35.83 69.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.591 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -76.56 -9.89 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.457 -176.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.32 -14.64 37.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.815 0.34 . . . . 0.0 111.322 -176.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.59 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.0 m -126.88 -172.58 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.326 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -84.27 -54.83 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.248 0.547 . . . . 0.0 109.851 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -141.81 150.42 41.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.757 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.417 ' HB3' HG13 ' A' ' 41' ' ' VAL . 10.2 ttt -156.58 132.78 9.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -153.38 146.63 24.75 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 -177.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.3 m -68.51 -173.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.404 0.145 . . . . 0.0 111.173 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.842 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.2 m -51.1 111.22 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.234 0.54 . . . . 0.0 111.97 -175.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -82.25 -22.09 35.97 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.037 175.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.45 2.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.776 -173.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.842 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 3.3 mm? -98.87 -154.78 0.47 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.606 0.717 . . . . 0.0 109.55 -174.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 58' ' ' ARG . 5.8 ptp180 -120.99 144.74 48.35 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.636 -1.165 . . . . 0.0 108.479 175.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 10.7 p -163.65 124.92 2.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.23 0.538 . . . . 0.0 110.781 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -163.09 -61.45 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.798 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 33' ' ' MET . 12.1 t70 -122.42 -69.54 0.82 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.595 -161.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.46 -20.46 15.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.654 -174.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 9.9 p -136.81 146.6 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.26 -174.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.492 ' HA ' ' HB3' ' A' ' 59' ' ' CYS . . . -158.77 115.9 2.79 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.116 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CG ' ' HG ' ' A' ' 57' ' ' LEU . 66.9 m-85 -85.69 146.83 26.64 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.153 177.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.472 HD11 ' HB1' ' A' ' 37' ' ' ALA . 55.3 mt -133.1 127.32 54.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.12 0.486 . . . . 0.0 110.307 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.478 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 14.7 m120 -91.03 110.6 21.86 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.153 177.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.5 p -116.03 138.91 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.227 0.537 . . . . 0.0 111.397 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.59 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.0 tt0 -123.89 105.18 9.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.493 176.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.413 ' HA ' HG12 ' A' ' 48' ' ' VAL . 76.7 p -64.53 165.55 9.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.413 -176.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 68.3 mttm -65.05 -25.93 68.03 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.035 0.445 . . . . 0.0 110.481 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.1 mp0 -73.59 2.12 8.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.673 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 73.84 2.14 4.13 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.626 0.77 . . . . 0.0 110.944 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -76.37 135.1 39.51 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -113.28 128.83 56.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.124 -172.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -119.7 143.83 47.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.189 0.518 . . . . 0.0 111.202 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 37.1 t -104.52 108.41 19.83 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 171.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 88.1 mt -103.44 131.84 50.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.133 0.492 . . . . 0.0 111.574 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -99.33 100.73 11.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.012 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.555 HD13 ' HG ' ' A' ' 85' ' ' LEU . 52.4 tp -86.98 115.47 24.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.063 0.459 . . . . 0.0 110.188 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.0 p -123.34 -179.58 4.37 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.537 -0.756 . . . . 0.0 108.998 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -70.62 -15.29 62.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.429 0.633 . . . . 0.0 109.466 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.43 -21.25 39.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.768 176.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.76 -168.77 24.12 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.754 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.555 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.2 mp -96.85 121.52 38.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -113.05 141.72 46.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.265 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.5 t -86.33 111.98 22.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.6 m -108.61 -1.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.15 155.63 19.62 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.814 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -102.56 23.02 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 110.658 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -150.84 165.47 33.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.592 177.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 24.4 m-85 -70.21 134.01 47.64 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.964 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 65.98 27.68 10.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.323 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -111.88 113.01 25.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.8 t -117.57 99.84 8.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.364 174.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -97.82 127.35 43.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.282 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -85.4 5.44 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.776 -174.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -93.22 -25.22 17.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.0 mt -69.12 125.57 27.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.123 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -114.71 26.95 9.79 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 174.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.19 125.48 50.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.977 -177.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.27 134.81 54.28 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 123.033 2.489 . . . . 0.0 112.804 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -89.88 159.5 16.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.81 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -123.78 142.67 50.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -62.74 -52.69 62.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.727 0.298 . . . . 0.0 111.598 -174.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 56.2 p -106.82 151.65 24.92 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.905 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.512 HG11 HG13 ' A' ' 40' ' ' VAL . 9.6 p -63.82 -28.19 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 177.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -63.67 -54.29 37.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.9 m -72.28 -2.67 19.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.529 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 53.8 tp -97.11 -59.19 1.84 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.956 0.407 . . . . 0.0 110.976 174.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.541 HD23 ' CD1' ' A' ' 118' ' ' TYR . 10.8 tp -73.21 -19.46 61.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.549 -170.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.431 ' OD1' ' HB3' ' A' ' 119' ' ' ARG . 31.9 t70 -82.59 -20.32 36.7 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.895 1.331 . . . . 0.0 107.558 -175.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.1 m -88.52 -16.07 33.61 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 112.734 -2.03 . . . . 0.0 110.003 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 93.0 mt -100.59 -59.88 1.62 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.26 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 65.2 m -102.31 127.03 31.56 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 112.074 -173.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -66.09 -32.86 42.68 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.656 2.237 . . . . 0.0 111.45 172.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.5 -20.56 63.71 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.159 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.541 ' CD1' HD23 ' A' ' 111' ' ' LEU . 66.8 t80 -58.95 -62.59 1.77 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.462 177.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.46 ' HA ' ' HB3' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -67.43 -21.46 65.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -177.001 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.86 -51.35 65.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.758 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.74 -30.81 46.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.946 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.46 ' HB3' ' HA ' ' A' ' 119' ' ' ARG . 57.0 t80 -60.85 -37.99 84.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.593 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.64 -32.96 85.23 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.166 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.532 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 26.3 t-20 -65.69 -39.78 91.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.119 0.485 . . . . 0.0 110.159 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.06 -33.42 74.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.672 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.52 -43.31 77.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.603 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 124' ' ' ASN . 4.6 pp -67.64 -33.69 75.47 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.112 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.412 ' N ' HD12 ' A' ' 127' ' ' LEU . 53.2 tt0 -69.67 -40.58 76.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.141 0.496 . . . . 0.0 109.695 176.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.401 ' O ' HD13 ' A' ' 133' ' ' LEU . 24.7 tpt85 -58.06 -40.86 82.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.555 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.17 -49.79 22.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.467 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -62.0 -34.0 75.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.34 -175.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.92 -40.69 85.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 129' ' ' ARG . 10.9 mp -80.4 -34.16 36.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -60.65 -41.46 95.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.435 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -88.6 -49.73 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.076 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.2 t70 69.71 -66.01 0.28 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.647 0.779 . . . . 0.0 110.861 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -156.49 -99.67 0.16 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -138.45 94.71 2.88 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.626 -177.517 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.876 0.37 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -141.2 142.89 33.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.141 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.5 m -135.0 167.67 20.51 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.59 -46.74 89.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.812 0.339 . . . . 0.0 110.649 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.1 p -71.39 121.37 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -98.69 110.75 58.32 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -56.93 140.02 91.02 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.829 2.352 . . . . 0.0 112.336 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.4 ttm -76.61 94.04 3.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.249 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -49.18 3.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.148 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' HB3' ' H ' ' A' ' 11' ' ' SER . 4.5 mm? 57.77 -136.83 0.96 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.416 ' H ' ' HB3' ' A' ' 10' ' ' LEU . 33.3 m -154.18 -167.02 2.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 t -65.03 -20.87 66.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.834 0.35 . . . . 0.0 110.78 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.8 ttm -60.1 98.06 0.05 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.631 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 p -168.56 134.83 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.905 0.383 . . . . 0.0 110.961 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -120.25 32.72 4.79 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 175.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 92.9 m-85 66.87 -77.74 0.04 OUTLIER 'General case' 0 C--O 1.232 0.175 0 C-N-CA 123.407 0.683 . . . . 0.0 110.466 -174.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 13.2 pt-20 166.96 -38.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.177 0.991 . . . . 0.0 109.042 175.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -157.84 114.47 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.545 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.02 179.35 21.38 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.503 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 m -119.0 -54.87 2.21 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 59.25 19.32 7.42 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.699 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.16 105.44 17.66 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -93.38 118.81 31.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.349 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.19 3.57 0.75 Allowed Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.985 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.517 ' HE1' ' HE3' ' A' ' 31' ' ' LYS . 66.6 t80 -119.31 -22.24 7.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.765 0.317 . . . . 0.0 110.437 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 71.13 4.17 4.96 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.756 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.2 -42.44 3.15 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 121.194 -0.527 . . . . 0.0 113.077 175.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 m -72.2 117.89 14.4 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.789 0.328 . . . . 0.0 111.439 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -90.8 93.01 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -131.46 18.66 4.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.368 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.517 ' HE3' ' HE1' ' A' ' 25' ' ' PHE . 18.9 pttp -81.03 115.53 20.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.084 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 45.6 t0 -88.66 117.7 27.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 173.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.497 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 28.6 tpp -69.65 -23.38 63.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.366 0.603 . . . . 0.0 110.278 -177.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HB3' ' OD1' ' A' ' 32' ' ' ASP . 8.7 ttp180 -69.97 -30.96 68.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.863 174.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 16.5 tp -66.81 -53.48 32.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.2 175.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.41 -29.05 65.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.369 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -65.65 -47.79 74.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.352 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -55.14 -36.73 66.1 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.97 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.43 -53.26 20.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.446 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.491 HG13 HG11 ' A' ' 107' ' ' VAL . 86.4 t -60.64 -43.31 94.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 51' ' ' MET . 46.6 t -53.39 -46.32 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.939 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -91.67 -1.66 57.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 111.163 -174.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -88.37 -41.7 12.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.204 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.54 14.07 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 6.8 tt -57.82 -37.76 74.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.706 -174.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -73.66 -0.27 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.82 -19.13 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.079 0.466 . . . . 0.0 110.253 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 30.3 m -124.81 -167.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.631 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -80.86 -55.25 4.93 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.522 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -163.24 154.7 17.25 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.781 0.324 . . . . 0.0 111.184 -176.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.542 ' HB2' HG13 ' A' ' 41' ' ' VAL . 88.5 mtp -134.96 142.05 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -154.49 138.26 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -178.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.17 138.33 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.828 0.347 . . . . 0.0 111.101 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.408 ' HB3' HD13 ' A' ' 57' ' ' LEU . 4.1 m -72.71 112.31 8.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.036 0.446 . . . . 0.0 110.31 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.55 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 1.7 tmtp? -86.55 -12.99 47.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 -174.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -89.98 3.34 53.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.074 0.464 . . . . 0.0 110.819 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.572 HD21 ' CG2' ' A' ' 95' ' ' VAL . 5.9 mp -120.7 -100.37 0.43 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.862 -175.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -166.65 158.16 12.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.956 0.408 . . . . 0.0 110.974 -171.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 7.5 p -159.2 73.76 0.61 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.6 172.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.2 -54.18 5.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.93 -170.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.08 -76.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.499 -175.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.585 ' OD1' ' HB2' ' A' ' 82' ' ' GLU . 20.0 t70 -94.56 -15.78 23.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.863 0.363 . . . . 0.0 111.391 -176.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 12.0 p -105.36 128.81 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.175 0.512 . . . . 0.0 111.253 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.91 124.16 11.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.685 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.474 ' CG ' HD22 ' A' ' 57' ' ' LEU . 90.3 m-85 -93.15 129.92 38.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.882 0.372 . . . . 0.0 110.39 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 57.5 mt -119.45 129.83 74.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.961 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -88.34 129.15 35.47 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.128 173.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.523 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.6 p -128.41 119.97 51.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.282 0.563 . . . . 0.0 109.986 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 31.7 tt0 -102.92 111.47 23.82 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.558 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 p -70.7 178.85 2.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.566 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -65.01 -11.43 38.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.941 0.4 . . . . 0.0 110.675 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.75 -16.4 61.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.393 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? 70.69 16.41 6.81 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.459 -174.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -98.25 135.26 40.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 2.8 mpt_? -97.37 141.86 29.95 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -127.28 142.09 51.55 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 95.1 m -103.85 120.04 40.18 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.118 0.485 . . . . 0.0 110.637 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.1 mt -108.1 131.72 54.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.604 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 44.8 tt0 -93.78 97.82 10.68 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.549 HD13 ' HG ' ' A' ' 85' ' ' LEU . 55.4 tp -84.19 121.43 27.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.937 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 19.4 p -142.93 178.51 7.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.324 -178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.585 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . 35.8 tt0 -56.13 -33.0 64.76 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.371 176.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.61 -7.28 58.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.675 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.79 -160.9 15.06 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.533 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.549 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.4 mp -101.41 127.54 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.695 0.283 . . . . 0.0 110.672 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 31.0 ttmt -116.99 146.78 42.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.16 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.528 ' HB ' HG21 ' A' ' 101' ' ' THR . 56.6 t -90.74 115.14 29.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.541 ' HB ' HG13 ' A' ' 95' ' ' VAL . 21.5 m -117.35 8.79 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -175.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.11 160.66 14.7 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.512 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -125.53 62.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.47 0.653 . . . . 0.0 111.596 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -159.2 -169.37 2.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.998 172.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -96.49 107.15 19.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 66.73 44.5 2.15 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.725 0.641 . . . . 0.0 110.865 -176.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.594 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 24.3 tt0 -129.26 133.76 47.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.881 178.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.572 ' CG2' HD21 ' A' ' 57' ' ' LEU . 94.8 t -124.92 102.79 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.226 0.536 . . . . 0.0 110.682 -177.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.548 ' HB2' HD13 ' A' ' 99' ' ' LEU . 15.0 m-20 -82.41 158.83 23.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.041 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -101.99 -31.87 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -171.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -82.02 -3.6 54.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -170.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 96' ' ' ASP . 8.1 mp -78.39 101.94 7.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.164 0.507 . . . . 0.0 110.515 176.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -104.4 87.34 2.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.556 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.528 HG21 ' HB ' ' A' ' 87' ' ' VAL . 3.9 t -127.09 141.23 40.08 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.57 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.74 169.26 19.29 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.509 2.14 . . . . 0.0 111.806 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.44 152.5 19.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -112.03 141.45 45.69 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -62.82 -61.76 2.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.42 0.45 . . . . 0.0 111.686 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.4 p -100.36 141.45 33.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.011 0.434 . . . . 0.0 111.539 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.491 HG11 HG13 ' A' ' 40' ' ' VAL . 11.2 p -63.45 -25.31 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.502 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -62.49 -54.58 37.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.074 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.2 m -61.74 -38.41 87.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.463 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 51.0 tp -63.76 -56.55 14.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.694 -177.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.461 HD21 HG13 ' A' ' 48' ' ' VAL . 36.0 tp -68.74 -25.43 64.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 111.209 -174.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -81.59 -30.64 32.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.508 1.147 . . . . 0.0 108.154 -175.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 5.1 m -66.07 -28.47 68.86 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 113.191 -1.822 . . . . 0.0 110.468 170.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 87.4 mt -85.76 -63.09 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.669 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.7 p -113.32 109.6 51.37 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.361 -175.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.15 -15.1 37.51 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 123.037 2.491 . . . . 0.0 112.138 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.0 -12.24 47.99 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.76 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -55.65 -49.22 73.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.621 176.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -63.4 -40.8 98.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.231 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -69.09 -40.31 78.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.962 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.75 -46.98 56.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -63.28 -37.72 88.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.698 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.84 -47.76 88.15 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.965 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.503 ' O ' ' HB3' ' A' ' 127' ' ' LEU . 4.7 m-20 -68.47 -24.99 64.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -176.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.28 -46.54 32.92 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -74.29 -11.39 60.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.466 0.65 . . . . 0.0 109.707 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 124' ' ' ASN . 2.4 tm? -69.26 -50.96 42.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.829 175.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -17.93 56.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.037 0.446 . . . . 0.0 110.824 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -70.28 -24.82 63.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.416 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.627 ' HG ' ' HE2' ' A' ' 134' ' ' LYS . 56.2 tp -64.13 -37.94 89.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.208 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -69.43 -28.25 65.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.982 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.37 99.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.94 -20.35 52.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.385 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.627 ' HE2' ' HG ' ' A' ' 130' ' ' LEU . 68.5 mttm -77.84 -51.18 10.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.414 0.626 . . . . 0.0 110.293 176.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -69.93 -39.91 75.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.503 -176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -92.94 13.03 21.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.178 0.513 . . . . 0.0 110.758 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -93.39 44.54 2.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.133 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.86 126.56 38.0 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.442 -0.79 . . . . 0.0 110.064 -179.834 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.83 -41.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.095 -174.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.8 m 65.11 92.92 0.07 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.966 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -112.88 -178.15 3.31 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.4 t -121.05 -16.23 8.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.911 0.386 . . . . 0.0 110.512 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.466 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 28.6 t-20 -139.26 117.84 8.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.386 -179.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 6' ' ' ASN . 7.2 Cg_endo -87.62 30.28 0.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 123.425 2.75 . . . . 0.0 113.913 -172.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -151.07 177.7 9.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.988 0.423 . . . . 0.0 111.069 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -132.72 160.01 38.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.502 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.471 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 1.5 pp -71.35 26.49 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 -175.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.3 m -73.88 97.28 2.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.952 0.406 . . . . 0.0 110.639 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.0 m 64.6 -88.85 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.257 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 57.3 ttp -169.81 -70.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.071 0.462 . . . . 0.0 110.483 -178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.3 p -125.84 170.73 11.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.62 -14.29 57.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.307 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -138.31 31.86 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.651 0.738 . . . . 0.0 109.536 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -102.84 -6.08 22.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.416 -177.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 62.42 91.2 0.07 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.762 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.32 165.8 34.39 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.538 -177.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -102.7 9.34 39.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.398 0.618 . . . . 0.0 110.183 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -79.06 41.95 0.46 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.827 -177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.1 mt -99.09 -31.97 11.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.95 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -115.73 119.01 34.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.964 0.411 . . . . 0.0 110.928 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.07 27.39 2.9 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 175.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -156.44 115.81 3.49 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -94.42 145.36 24.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.066 0.46 . . . . 0.0 111.202 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.51 90.2 0.13 Allowed Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 177.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -77.86 130.55 36.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.534 0.683 . . . . 0.0 111.109 -177.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -137.31 62.74 1.58 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.77 0.795 . . . . 0.0 109.034 175.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.3 tpt -96.69 124.55 40.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.366 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -66.63 146.98 53.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.965 0.412 . . . . 0.0 110.43 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.583 ' OD1' ' HB2' ' A' ' 34' ' ' ARG . 14.6 t70 -102.52 110.19 22.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.627 -178.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.0 tpp -66.79 -19.83 65.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.775 -173.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.583 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 48.6 mtt180 -60.64 -35.94 77.43 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.658 0.266 . . . . 0.0 111.046 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.25 -53.81 22.04 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.436 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -61.91 -24.03 66.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.096 176.008 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -72.81 -49.86 27.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.254 177.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.56 -40.89 93.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.183 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.5 -46.47 76.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.971 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 36' ' ' GLU . 68.3 t -65.08 -46.76 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.536 HG13 ' HB2' ' A' ' 51' ' ' MET . 78.8 t -54.66 -42.78 62.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.622 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -80.4 -33.67 36.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.343 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.94 -54.48 29.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.743 -173.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.54 17.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.897 0.379 . . . . 0.0 111.356 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 50.0 tp -55.88 -40.47 73.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.843 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.458 ' CD2' ' HB1' ' A' ' 121' ' ' ALA . 51.7 p90 -77.07 -3.42 39.14 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.756 -174.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.06 -19.73 29.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.025 0.44 . . . . 0.0 110.306 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.65 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 27.3 m -126.98 -168.42 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.222 -176.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -82.99 -56.99 3.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.106 0.479 . . . . 0.0 110.387 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -155.64 144.35 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.713 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.536 ' HB2' HG13 ' A' ' 41' ' ' VAL . 85.1 mtp -127.18 147.43 50.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.415 175.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -149.04 177.55 9.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -176.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -114.54 131.56 66.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.482 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 17.2 m -69.99 107.04 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.533 0.683 . . . . 0.0 111.012 -175.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -98.82 16.35 22.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.582 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -102.85 1.0 33.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.418 HD13 ' HB3' ' A' ' 54' ' ' SER . 4.8 mp -130.53 -148.38 0.36 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.793 -178.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -116.99 136.82 52.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.962 0.411 . . . . 0.0 110.665 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 64' ' ' ALA . 3.5 p -155.8 117.15 3.92 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.96 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.92 -60.5 0.16 Allowed 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.689 0.757 . . . . 0.0 111.712 -177.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -121.69 -67.3 0.97 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.392 -162.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -98.54 -19.68 17.48 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.871 0.367 . . . . 0.0 111.058 -173.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.3 p -139.0 140.2 38.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.121 -174.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.553 ' HA ' ' HB3' ' A' ' 59' ' ' CYS . . . -142.91 120.05 11.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.891 172.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.482 ' HB2' ' HB2' ' A' ' 54' ' ' SER . 96.8 m-85 -86.53 126.89 34.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.08 132.14 69.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.205 0.526 . . . . 0.0 110.846 -176.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -87.98 125.67 34.66 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.173 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.504 HG13 ' HB2' ' A' ' 76' ' ' TYR . 4.9 p -131.63 115.18 27.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.361 0.601 . . . . 0.0 110.926 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.65 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 34.9 tt0 -101.58 106.27 17.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.654 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.496 ' HA ' HG12 ' A' ' 48' ' ' VAL . 72.4 p -69.7 176.87 3.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.386 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -74.54 3.75 7.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.086 0.47 . . . . 0.0 111.129 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -89.73 -6.19 56.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER 72.35 13.19 5.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.656 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.413 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 58.7 t30 -92.64 131.91 37.34 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.413 ' NH1' ' HA ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -97.55 122.41 40.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.295 -173.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.504 ' HB2' HG13 ' A' ' 68' ' ' VAL . 85.2 m-85 -107.72 150.24 27.18 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.905 0.383 . . . . 0.0 110.604 176.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.4 m -108.66 115.42 30.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.654 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 86.6 mt -102.34 131.01 49.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.925 0.393 . . . . 0.0 111.154 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -93.73 99.21 11.65 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.7 tp -89.02 115.96 26.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.182 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.9 p -132.54 -170.43 2.43 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.004 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.427 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 6.6 pt-20 -78.92 -2.85 41.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.267 0.556 . . . . 0.0 110.47 174.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.24 -6.73 40.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.152 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.14 -156.8 15.42 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.413 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.37 135.21 47.16 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.701 ' HD2' ' HE1' ' A' ' 103' ' ' TYR . 39.6 tttt -140.38 115.91 10.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.094 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.14 118.83 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.323 0.583 . . . . 0.0 110.649 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.586 HG12 ' HE2' ' A' ' 86' ' ' LYS . 17.9 m -113.71 7.52 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.628 -175.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -174.58 156.13 22.43 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.858 178.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -124.28 40.37 3.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.91 0.862 . . . . 0.0 110.13 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -139.96 -175.58 4.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.468 172.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -95.9 110.89 23.01 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.41 54.83 1.46 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.747 0.655 . . . . 0.0 110.61 -176.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.573 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 24.4 tt0 -142.99 103.47 4.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.231 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.537 HG13 ' HB ' ' A' ' 88' ' ' VAL . 77.8 t -99.61 117.95 45.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.824 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 30.5 t70 -112.33 144.53 41.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.21 -172.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -70.16 -21.01 63.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.189 -177.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -83.7 -8.18 59.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.129 -0.357 . . . . 0.0 111.136 -173.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.499 ' CD1' ' HB3' ' A' ' 96' ' ' ASP . 4.6 mp -95.17 90.7 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.353 0.597 . . . . 0.0 111.662 177.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -112.85 75.86 0.94 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.928 0.871 . . . . 0.0 109.097 171.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.7 p -89.72 160.69 40.83 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 114.543 -1.208 . . . . 0.0 112.469 -171.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.38 124.28 13.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.703 2.268 . . . . 0.0 112.263 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.701 ' HE1' ' HD2' ' A' ' 86' ' ' LYS . 5.2 m-85 -72.23 130.31 40.5 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.848 -178.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.44 144.57 44.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -74.62 -44.44 50.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.122 0.487 . . . . 0.0 111.513 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.1 p -107.04 138.71 42.69 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.336 -174.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.69 -26.06 38.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.144 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -59.8 -58.03 10.31 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.319 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.2 m -74.32 -3.9 33.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.568 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 113' ' ' THR . 47.0 tp -95.96 -53.65 3.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.919 0.39 . . . . 0.0 110.786 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.452 HD21 HG13 ' A' ' 48' ' ' VAL . 38.2 tp -69.99 -21.02 63.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.983 -175.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.46 -23.83 50.37 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.498 1.142 . . . . 0.0 108.277 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 1.3 m -79.82 -27.78 40.21 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 113.294 -1.775 . . . . 0.0 110.654 173.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.9 mt -83.79 -53.24 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 -176.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.2 t -122.77 116.78 28.96 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 120.765 0.317 . . . . 0.0 110.577 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.21 -21.49 60.12 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 123.139 2.559 . . . . 0.0 112.395 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.86 -11.01 60.06 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.957 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -57.7 -42.07 82.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.559 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -65.07 -32.34 74.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.162 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.62 -43.88 79.35 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.458 ' HB1' ' CD2' ' A' ' 46' ' ' PHE . . . -64.18 -36.45 84.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.525 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -62.89 -48.27 79.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.34 177.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.35 -34.13 89.12 Favored Glycine 0 C--O 1.226 -0.364 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.052 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' A' ' 127' ' ' LEU . 23.2 t-20 -61.39 -37.78 84.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.031 0.443 . . . . 0.0 110.854 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.45 -43.03 51.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.42 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -65.27 -27.24 68.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.49 0.662 . . . . 0.0 109.851 175.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.444 ' HB3' ' O ' ' A' ' 124' ' ' ASN . 3.0 tm? -66.36 -52.47 46.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.504 173.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -38.79 80.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.259 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -66.45 -20.42 66.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.049 -177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.8 tp -66.37 -53.01 40.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.158 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -79.34 -20.09 48.68 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.961 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.47 80.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.155 0.502 . . . . 0.0 109.932 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.44 -22.12 63.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.419 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -86.05 -17.39 35.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.425 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 135' ' ' ARG . 1.1 mpt_? -96.44 -57.93 2.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.582 -174.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.74 106.1 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.304 -172.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 116.81 -50.55 0.78 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.367 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -75.26 -36.19 61.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.693 0.282 . . . . 0.0 110.853 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.013 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.02 116.34 16.97 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.362 0.601 . . . . 0.0 111.141 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 t -140.88 15.4 2.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.181 175.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 60.86 64.72 1.11 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.005 -177.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 81.2 m 65.4 -83.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.049 -176.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 4.2 p-10 -167.13 120.8 0.8 Allowed Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 6' ' ' ASN . 7.7 Cg_exo -73.59 -87.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.67 2.247 . . . . 0.0 112.041 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 mmm 176.86 122.79 0.03 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.255 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 27.0 mp0 -67.52 114.18 5.96 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 173.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' GLU . 59.0 tp 69.28 96.15 0.07 Allowed 'General case' 0 N--CA 1.463 0.221 0 O-C-N 124.042 0.839 . . . . 0.0 110.144 -172.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.8 m -72.59 88.87 1.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.293 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 p -93.43 168.14 11.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.724 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.1 mmt -78.33 146.59 34.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.438 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.8 p -94.82 -1.69 52.3 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.21 48.38 1.58 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.323 -0.941 . . . . 0.0 113.191 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -69.67 -41.79 75.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.09 0.472 . . . . 0.0 110.327 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -98.87 19.49 14.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -65.62 -44.16 87.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.035 0.445 . . . . 0.0 110.01 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.97 135.7 3.42 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.854 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -92.77 -59.56 2.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.761 0.315 . . . . 0.0 110.633 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -134.74 140.7 46.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.1 tp -99.66 83.84 2.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.064 0.459 . . . . 0.0 109.776 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -138.47 115.43 10.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.504 -176.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.31 112.84 4.04 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 174.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -62.96 -42.12 99.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.786 0.327 . . . . 0.0 110.619 -173.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -101.56 14.08 33.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.469 0.652 . . . . 0.0 109.661 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.82 -58.21 0.52 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.79 -177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 m -148.85 87.59 1.56 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.421 0.629 . . . . 0.0 109.606 176.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.64 -11.13 59.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.945 -173.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -139.97 122.73 16.43 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -119.11 158.43 25.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.961 0.41 . . . . 0.0 110.774 -169.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 11.5 t0 -84.44 98.47 10.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.185 -178.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -15.15 60.43 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.505 -175.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -60.36 -43.4 96.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.832 0.349 . . . . 0.0 110.227 179.592 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 4.9 mt -77.85 -38.86 45.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.511 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 5.9 mm-40 -57.59 -29.28 64.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -73.92 -49.99 22.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.249 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 36.4 mt-10 -62.25 -33.95 75.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.972 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.99 73.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.758 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.04 -47.56 93.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 95.5 t -57.61 -49.51 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.603 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.63 -10.29 59.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -172.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -81.46 -44.88 16.82 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.245 -177.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.1 m -112.63 15.11 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.563 -176.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.5 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 6.1 tt -58.21 -34.61 70.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.397 -176.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -75.62 -12.23 60.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.736 0.303 . . . . 0.0 111.452 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.445 ' HA ' ' CB ' ' A' ' 121' ' ' ALA . . . -82.49 -15.81 51.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.056 0.455 . . . . 0.0 110.782 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.584 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 23.4 m -117.64 -168.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.014 177.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -88.87 -51.05 5.84 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.371 0.605 . . . . 0.0 109.52 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -141.68 155.23 45.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.036 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.432 ' HB3' ' HG ' ' A' ' 45' ' ' LEU . 18.3 ttt -163.87 129.41 2.99 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -161.19 161.08 30.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.744 0.306 . . . . 0.0 110.664 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.5 p -68.49 134.92 29.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 172.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.512 ' CB ' HD23 ' A' ' 57' ' ' LEU . 4.4 m -55.19 -55.44 31.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.66 -174.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 70.62 10.12 7.04 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.681 0.753 . . . . 0.0 110.493 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -118.81 17.39 13.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.934 0.873 . . . . 0.0 109.571 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.608 ' HG ' ' CB ' ' A' ' 65' ' ' TYR . 4.4 mm? -118.64 -148.51 0.42 Allowed 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.547 -177.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.496 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -130.73 96.03 3.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.537 0.684 . . . . 0.0 109.882 175.245 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.4 p -88.27 90.51 8.42 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.134 175.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.37 -76.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.2 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' HA ' ' NH1' ' A' ' 34' ' ' ARG . 17.9 m-20 -155.41 -57.8 0.1 Allowed 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -176.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -105.03 20.51 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.554 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.6 p -143.18 137.85 26.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.342 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.37 132.16 13.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.946 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.608 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 92.5 m-85 -92.64 133.55 35.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.163 0.506 . . . . 0.0 110.915 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 72.9 mt -125.82 136.63 60.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.106 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 92' ' ' PHE . 7.8 m120 -108.82 130.66 55.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.28 0.562 . . . . 0.0 110.801 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.48 138.41 51.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.549 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.584 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 35.2 tt0 -117.1 108.61 15.93 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.364 177.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.0 p -67.47 167.73 12.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.589 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 68.7 mttm -70.05 -4.73 22.37 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.412 0.625 . . . . 0.0 110.455 177.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 42.6 tt0 -91.22 3.06 55.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.405 177.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 72' ' ' GLU . 80.1 mtt180 70.99 -1.55 2.64 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.459 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -84.12 129.61 34.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -105.26 148.51 26.91 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.892 -172.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 72.1 m-85 -130.64 150.47 51.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.33 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 34.6 t -114.19 117.23 30.62 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.501 HD22 HD21 ' A' ' 110' ' ' LEU . 80.6 mt -116.14 131.23 57.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 0.0 111.644 -172.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . 36.2 tt0 -94.27 111.73 23.49 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.467 175.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 tp -88.18 119.72 28.84 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.5 p -139.58 178.89 6.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.364 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.93 -36.67 84.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 109.831 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.11 -22.63 65.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.828 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.38 -149.75 20.05 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.872 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.75 122.58 48.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.822 0.344 . . . . 0.0 110.199 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 79' ' ' GLU . 80.5 tttt -111.68 126.43 55.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.678 -175.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.85 106.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.8 m -101.93 0.57 10.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.151 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 163.21 -178.07 38.98 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.001 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -131.18 40.77 3.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.509 0.671 . . . . 0.0 110.808 -179.763 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -152.36 170.3 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.403 175.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.457 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 24.0 m-85 -68.73 146.57 52.83 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 49.66 24.88 1.3 Allowed 'General case' 0 N--CA 1.474 0.767 0 O-C-N 124.05 0.844 . . . . 0.0 112.649 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -103.65 112.12 24.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.055 0.455 . . . . 0.0 110.686 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.3 t -127.3 102.43 9.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.437 175.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.677 ' OD2' ' HB2' ' A' ' 98' ' ' HIS . 38.7 t70 -123.79 122.06 37.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -177.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.75 16.8 8.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.493 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.677 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 63.2 m80 -78.89 -28.24 44.05 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 169.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.5 mp -69.76 118.38 12.55 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.232 169.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -90.88 29.06 1.41 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.342 0.592 . . . . 0.0 109.903 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.501 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.6 OUTLIER -71.36 117.5 57.52 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.791 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 7.2 Cg_exo -72.79 160.32 46.46 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.786 2.324 . . . . 0.0 112.029 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.407 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -81.49 144.89 31.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.259 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -99.43 157.99 16.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.78 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.21 -67.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 123.647 0.592 . . . . 0.0 111.59 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.2 p -112.73 167.47 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -70.92 -23.87 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.097 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -69.62 -51.94 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.148 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.5 m -69.41 -9.1 52.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.151 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.501 HD21 HD22 ' A' ' 78' ' ' LEU . 62.2 tp -95.71 -57.32 2.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.201 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 118' ' ' TYR . 17.0 tp -62.5 -22.64 66.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 0.0 110.075 -177.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -54.45 -41.26 69.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.244 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 110' ' ' LEU . 12.1 t -94.91 -5.06 45.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.846 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 86.8 mt -90.78 -36.79 14.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.336 . . . . 0.0 111.472 -176.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.7 t -148.7 128.37 6.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.905 0.383 . . . . 0.0 111.043 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.34 -18.57 44.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 0.0 111.495 175.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.589 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -71.81 -21.84 61.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.821 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.439 ' CD1' HD23 ' A' ' 111' ' ' LEU . 48.0 t80 -61.7 -38.82 89.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.394 0.616 . . . . 0.0 109.805 175.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -68.45 -24.52 64.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.424 -178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -76.55 -55.81 5.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.135 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' A' ' 47' ' ' ALA . . . -62.04 -35.74 79.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.429 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -61.6 -49.55 76.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.401 . . . . 0.0 110.377 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -66.2 -29.51 75.07 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.181 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.471 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 2.9 t-20 -63.65 -40.25 96.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.767 0.318 . . . . 0.0 110.468 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 129' ' ' ARG . . . -61.07 -36.31 79.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.98 -48.98 74.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.311 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 124' ' ' ASN . 4.6 pp -71.03 -25.91 62.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 111.179 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -69.79 -48.28 59.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.677 177.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 125' ' ' ALA . 38.8 mtm180 -69.89 -15.86 63.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.976 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.03 -28.23 69.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.706 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.47 -17.83 61.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.322 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.11 66.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.214 0.531 . . . . 0.0 110.263 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.99 -12.31 53.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.495 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -94.0 -40.43 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.467 0.651 . . . . 0.0 109.956 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -91.09 16.81 8.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.877 -177.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -63.13 -33.53 75.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.274 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -103.03 -77.63 1.23 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -152.63 155.36 37.17 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.732 -0.651 . . . . 0.0 109.731 -178.002 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 61.64 88.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.806 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.3 m -147.47 148.07 30.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.495 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -83.14 -34.37 26.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -173.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 p -81.55 99.0 8.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.177 0.513 . . . . 0.0 110.841 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -119.55 110.88 36.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.871 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.45 124.16 12.48 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.73 2.287 . . . . 0.0 111.163 175.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.0 mtt -95.6 131.14 42.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.062 0.458 . . . . 0.0 111.104 -175.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -105.9 119.3 38.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.989 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.81 ' HB2' ' HB3' ' A' ' 13' ' ' MET . 2.6 pp -141.04 144.27 34.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p -104.06 -74.51 0.64 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 177.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.5 m -90.1 3.61 52.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.276 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.81 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 28.1 ttt -81.86 79.99 8.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.341 0.591 . . . . 0.0 110.494 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.4 t -83.09 -26.06 31.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.325 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.7 -166.28 38.9 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.522 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -176.87 -30.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.092 0.473 . . . . 0.0 109.746 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -86.03 29.63 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.887 176.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.17 -31.22 71.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.145 -173.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.72 -164.61 21.06 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.237 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.9 m -95.27 13.53 25.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.789 0.328 . . . . 0.0 111.053 -177.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -57.65 -35.02 69.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.697 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.01 101.02 12.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.388 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -133.81 -40.27 0.86 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.47 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.02 83.57 0.76 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.104 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.502 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 28.3 t80 -158.87 -65.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.626 0.251 . . . . 0.0 110.608 -177.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' HG3' ' CD2' ' A' ' 25' ' ' PHE . 75.6 mt-10 -115.1 -56.9 2.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.726 0.298 . . . . 0.0 110.59 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.93 59.22 3.88 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.14 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.25 21.17 2.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.54 0.686 . . . . 0.0 109.502 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -82.15 116.89 21.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.669 -171.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.2 tpp -103.51 -19.76 14.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.159 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -90.32 106.57 18.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.358 0.599 . . . . 0.0 112.54 -169.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 4.5 m-20 -93.61 89.81 6.39 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 167.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.465 ' SD ' ' HA ' ' A' ' 81' ' ' THR . 6.5 ttm -71.26 -20.08 62.27 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.887 -177.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -58.41 -35.1 71.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.687 169.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER -78.37 -46.52 19.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.612 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 40' ' ' VAL . 42.9 mt-10 -57.84 -30.28 65.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.956 177.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -72.84 -48.98 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.487 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.67 -39.7 77.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.93 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.84 77.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.103 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 36' ' ' GLU . 78.0 t -62.97 -39.35 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.218 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.577 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 53.9 t -56.06 -33.49 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.341 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -88.35 -24.18 23.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.422 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -80.92 -55.93 4.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.566 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.9 m -88.97 4.99 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.709 0.29 . . . . 0.0 111.682 -173.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 61.7 tp -61.21 -26.66 67.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.066 0.46 . . . . 0.0 110.74 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -72.25 -14.22 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.716 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.31 -10.33 21.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.81 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.587 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 35.4 m -123.14 -170.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.671 0.272 . . . . 0.0 111.212 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -90.68 -56.53 3.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.159 0.504 . . . . 0.0 109.708 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -137.68 158.95 43.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.465 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.9 ttt -168.03 134.91 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -160.76 154.98 23.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.2 142.19 16.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.711 ' HB3' HD23 ' A' ' 57' ' ' LEU . 11.0 m -70.14 164.33 24.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 111.319 -175.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -122.15 -24.72 5.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.174 -171.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.541 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 50.8 m -111.1 25.24 11.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.716 0.77 . . . . 0.0 110.292 -172.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' A' ' 54' ' ' SER . 3.9 mm? -113.78 -147.19 0.41 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.718 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -133.18 131.95 41.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.218 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 78.4 m -130.04 46.28 2.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.746 0.784 . . . . 0.0 109.748 -176.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.78 82.32 7.88 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.833 -173.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 66.7 -72.99 0.08 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.082 0.864 . . . . 0.0 112.553 171.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.98 -19.54 54.3 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.385 0.674 . . . . 0.0 111.809 -173.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 13.3 p -129.81 144.67 37.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.668 -176.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.43 119.98 4.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.938 0.399 . . . . 0.0 110.733 171.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.671 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 74.5 m-85 -86.74 138.92 31.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.418 177.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.9 mt -123.87 135.84 62.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.584 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.63 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 95.8 m-20 -97.33 108.02 20.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 p -113.77 138.52 43.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.091 0.472 . . . . 0.0 110.608 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.517 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.1 tt0 -120.9 101.02 7.42 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.73 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 77.1 p -65.27 164.0 14.26 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.571 -176.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.587 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 89.8 mttt -66.18 -23.44 66.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.941 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -74.82 4.17 6.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.892 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 67.18 21.55 9.99 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.463 0.649 . . . . 0.0 111.328 172.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.51 128.09 49.28 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 169.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HG2' ' HG3' ' A' ' 69' ' ' GLU . 29.2 mtm180 -96.24 146.1 25.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 97.6 m-85 -139.04 142.9 38.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.047 0.451 . . . . 0.0 110.664 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 23.5 t -105.56 109.09 20.93 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 172.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 74.5 mt -98.59 135.86 39.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.196 -173.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -94.13 100.36 12.47 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.4 tp -78.62 117.22 19.57 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.779 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.465 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 13.0 p -136.69 167.63 21.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.297 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -66.5 -20.33 66.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.958 0.409 . . . . 0.0 110.619 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.45 1.82 47.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.613 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.73 -171.25 15.07 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.764 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 85' ' ' LEU . 5.3 mp -107.42 123.45 48.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.569 ' HG2' ' HB3' ' A' ' 103' ' ' TYR . 22.4 mttp -113.59 149.36 34.63 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.64 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.2 t -88.87 104.07 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.796 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.74 -5.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.019 0.438 . . . . 0.0 110.905 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.12 165.04 35.75 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.636 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 4.6 p90 -128.16 27.65 5.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.669 0.747 . . . . 0.0 109.788 177.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.96 162.74 39.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.797 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.63 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 22.3 m-85 -68.42 119.2 12.53 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.247 -0.181 . . . . 0.0 110.672 -177.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.569 ' HA ' HD21 ' A' ' 57' ' ' LEU . 36.5 m-20 67.28 24.98 8.93 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.478 0.486 . . . . 0.0 111.867 174.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -122.46 107.08 11.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.57 0.224 . . . . 0.0 111.403 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.6 t -82.51 125.05 39.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 170.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.76 136.83 38.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.114 0.483 . . . . 0.0 111.391 -173.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -82.27 -13.44 57.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.761 -176.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -88.46 -22.39 23.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.044 0.449 . . . . 0.0 109.894 -176.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.423 HD11 ' HD2' ' A' ' 90' ' ' TYR . 35.6 mt -71.21 117.82 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.994 0.902 . . . . 0.0 112.095 -176.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -116.76 25.92 10.21 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.232 -1.349 . . . . 0.0 108.0 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.88 152.31 91.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 114.099 -1.409 . . . . 0.0 112.303 -175.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.55 -162.77 0.19 Allowed 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.879 2.386 . . . . 0.0 112.347 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.569 ' HB3' ' HG2' ' A' ' 86' ' ' LYS . 6.3 p90 -142.86 166.65 24.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.853 -177.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.21 161.64 20.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.343 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.556 ' CD ' ' H ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -82.99 -39.26 21.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.283 -174.252 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.456 HG23 ' HG2' ' A' ' 105' ' ' GLU . 70.8 p -123.52 159.16 29.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.963 0.411 . . . . 0.0 110.843 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.09 -29.85 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -70.12 -47.75 60.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.2 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.6 t -67.59 -27.0 66.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.073 0.463 . . . . 0.0 110.176 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.9 tp -75.97 -52.34 10.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.495 ' HA ' HD12 ' A' ' 114' ' ' LEU . 14.9 tp -60.64 -29.27 69.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.141 0.496 . . . . 0.0 110.72 -176.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.61 -37.82 88.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.786 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.5 p -77.82 -9.97 59.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.003 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 70' ' ' THR . 36.4 mt -102.4 -29.94 11.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.186 -174.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.73 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 73.7 m -151.36 118.01 3.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.815 177.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.39 -18.06 59.26 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.809 2.339 . . . . 0.0 111.75 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.35 -13.6 62.4 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.688 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -56.2 -39.67 72.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.144 172.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 36.4 mtp85 -65.03 -37.75 88.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.886 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -77.18 -36.26 55.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.772 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -58.1 -61.33 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.979 0.418 . . . . 0.0 111.233 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -73.26 -24.8 60.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.84 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -65.48 -39.24 95.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.932 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -63.35 -45.87 89.21 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.873 0.368 . . . . 0.0 110.315 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.8 92.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.163 0.506 . . . . 0.0 110.291 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.8 tp -64.79 -44.83 88.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.182 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 128' ' ' GLN . 4.6 pp -72.54 -32.74 66.32 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.933 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.474 ' N ' HD12 ' A' ' 127' ' ' LEU . 25.9 tt0 -70.17 -38.41 75.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.215 0.531 . . . . 0.0 109.883 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -71.28 -23.74 62.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.356 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 49.2 tp -76.82 -31.76 57.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.979 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.93 -15.35 62.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.067 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.52 -21.84 66.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.847 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.5 mp -82.33 -10.69 58.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.06 0.457 . . . . 0.0 110.317 178.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -98.65 -35.86 10.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.032 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.37 7.91 33.38 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -80.2 -21.31 43.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.804 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 80.88 16.46 75.0 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.936 -0.575 . . . . 0.0 113.071 174.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -64.58 108.13 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.299 0.571 . . . . 0.0 111.024 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.164 -178.747 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 121.241 0.544 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -98.73 155.74 17.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.459 -176.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.0 t -87.67 132.16 34.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.22 0.533 . . . . 0.0 111.05 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -155.14 10.82 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.788 0.804 . . . . 0.0 109.04 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.1 p -106.16 93.0 4.38 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.823 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.521 HD22 ' HB2' ' A' ' 8' ' ' MET . 10.5 t30 -90.48 132.9 34.02 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.342 -177.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 6' ' ' ASN . 16.1 Cg_exo -69.21 53.26 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.377 2.718 . . . . 0.0 112.734 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.521 ' HB2' HD22 ' A' ' 6' ' ' ASN . 27.8 ttt -102.71 -21.31 14.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -77.93 131.16 37.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.653 175.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -122.83 115.54 22.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.717 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 t 68.94 97.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.751 176.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 p -108.24 24.57 12.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.56 173.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.5 ttm 67.74 -82.6 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.733 -177.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.7 m -159.43 -52.36 0.06 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.36 174.29 42.52 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.251 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -116.31 28.15 8.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.296 0.569 . . . . 0.0 109.803 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 45.8 mt-10 -74.21 134.02 42.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.698 -177.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 61.7 mm-40 74.2 8.86 4.6 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.053 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.93 42.32 2.12 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -84.6 133.13 34.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.939 0.4 . . . . 0.0 111.807 -175.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -121.92 128.41 51.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.345 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.4 mt -121.66 114.27 20.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.976 0.417 . . . . 0.0 111.125 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -102.83 120.93 41.46 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.98 -69.53 1.19 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.913 -174.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -136.1 -175.53 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.986 0.422 . . . . 0.0 110.725 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -79.32 83.19 5.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.785 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.41 -69.01 2.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.096 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 t -103.51 151.81 22.42 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -81.96 -11.14 59.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.917 0.389 . . . . 0.0 110.586 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 46.2 ttm -71.48 120.32 16.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.609 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -116.91 140.23 49.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.993 0.425 . . . . 0.0 109.953 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -103.87 140.56 37.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.597 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 31.0 tpp -77.67 -31.38 52.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.545 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 55.3 ttt-85 -70.52 -33.22 70.94 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.7 tp -55.8 -57.48 11.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.745 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 40' ' ' VAL . 16.3 mm-40 -58.57 -35.39 72.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.938 177.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.56 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -63.47 -53.62 49.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.213 -177.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.78 -37.13 73.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.492 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.3 -50.06 69.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.76 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 44' ' ' VAL . 57.7 t -60.08 -45.23 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.586 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.558 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 88.7 t -58.97 -33.4 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 111.266 -178.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -85.28 -24.23 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.019 0.438 . . . . 0.0 110.705 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -79.47 -57.98 3.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.503 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.8 m -85.68 4.05 3.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.587 -173.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 53.4 tp -56.75 -37.82 71.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.037 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -69.37 -24.59 63.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.84 -9.26 49.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.051 0.453 . . . . 0.0 111.345 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.6 m -117.32 -167.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.862 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -100.58 -49.1 4.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.466 ' HB2' ' HB3' ' A' ' 69' ' ' GLU . 0.7 OUTLIER -139.11 161.01 38.44 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 177.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.558 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 12.0 ttt -170.12 129.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.607 ' HE2' ' HE3' ' A' ' 55' ' ' LYS . 59.3 t80 -159.43 143.91 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.562 HG12 HG12 ' A' ' 66' ' ' ILE . 27.7 m -69.45 157.99 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.071 0.462 . . . . 0.0 111.304 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.485 ' HB3' ' OD2' ' A' ' 93' ' ' ASP . 6.8 m -79.5 164.06 24.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.373 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.607 ' HE3' ' HE2' ' A' ' 52' ' ' PHE . 98.9 mttt -128.49 -17.74 4.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.44 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -95.07 -5.58 44.0 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 65' ' ' TYR . 64.3 mt -106.02 -144.24 0.38 Allowed 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 113.883 -1.508 . . . . 0.0 109.31 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' H ' ' HD2' ' A' ' 65' ' ' TYR . 21.7 ptt-85 -153.16 158.53 41.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.326 0.584 . . . . 0.0 111.304 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 1.4 p -154.43 85.43 1.13 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.148 178.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -143.11 102.34 3.98 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.621 -176.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 76.93 -66.66 0.24 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.615 168.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.01 -28.02 15.33 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -171.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 11.4 p -136.3 149.49 27.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.83 0.348 . . . . 0.0 111.14 -172.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 80' ' ' LEU . . . -140.96 109.2 5.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.224 173.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.603 ' HB3' HD13 ' A' ' 57' ' ' LEU . 57.6 m-85 -86.68 119.53 27.01 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.496 177.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.562 HG12 HG12 ' A' ' 53' ' ' VAL . 46.5 mt -128.06 141.12 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -175.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 77.8 m-20 -100.44 119.09 37.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 175.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.407 HG23 ' HG3' ' A' ' 51' ' ' MET . 9.8 p -117.96 134.76 60.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.361 0.601 . . . . 0.0 111.625 -178.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 43.3 tt0 -116.49 98.63 6.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.306 176.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.54 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 42.6 p -63.63 174.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.551 -177.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.4 -8.52 54.31 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.324 0.583 . . . . 0.0 110.182 176.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' HG3' HD22 ' A' ' 74' ' ' ASN . 7.6 tp10 -81.24 -8.55 59.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.145 172.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt85 64.79 11.53 6.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.405 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.472 HD22 ' HG3' ' A' ' 72' ' ' GLU . 12.1 m-80 -87.14 123.58 32.34 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.526 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 83.6 mtm180 -98.94 128.86 45.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.726 -170.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -127.67 145.38 50.91 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.536 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.1 p -103.53 127.48 50.93 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.0 mt -111.79 136.13 51.46 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.398 -173.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -95.25 95.92 8.83 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.772 -1.103 . . . . 0.0 108.832 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 65.9 tp -79.35 116.41 19.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.165 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 p -126.22 171.6 10.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.573 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -9.73 58.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.735 0.302 . . . . 0.0 111.384 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.38 -21.98 25.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.886 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.94 -173.25 27.19 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.878 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.08 127.47 47.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.149 0.5 . . . . 0.0 110.805 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HB2' ' CD1' ' A' ' 103' ' ' TYR . 28.3 tttm -126.19 138.61 53.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.209 -177.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.02 139.71 17.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' A' ' 95' ' ' VAL . 10.5 m -120.5 -16.17 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.62 -178.16 41.8 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.359 -0.924 . . . . 0.0 112.193 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -122.34 35.33 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.159 0.504 . . . . 0.0 110.167 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -153.36 -166.1 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.716 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.526 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 15.6 m-30 -91.86 129.54 37.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.769 178.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 54' ' ' SER . 2.6 m-20 57.6 49.89 11.84 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.871 0.732 . . . . 0.0 111.69 174.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -126.8 130.46 50.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.491 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.487 ' HA ' ' HB ' ' A' ' 88' ' ' VAL . 88.7 t -131.27 110.32 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.902 0.382 . . . . 0.0 110.833 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -98.96 131.8 44.75 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.372 174.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -80.82 -9.43 59.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.813 0.339 . . . . 0.0 111.423 -173.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -86.39 -22.12 26.78 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 99' ' ' LEU . 58.1 mt -74.04 115.05 13.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.413 0.625 . . . . 0.0 110.722 176.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -126.43 40.16 3.78 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.748 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 67.2 p -54.46 135.41 62.18 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.15 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 32.0 Cg_exo -57.32 123.73 14.49 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.851 2.367 . . . . 0.0 111.918 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.405 ' CD1' ' HB2' ' A' ' 86' ' ' LYS . 83.8 m-85 -52.96 123.88 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.395 178.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -79.18 150.39 31.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -54.3 -62.25 1.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.926 0.766 . . . . 0.0 111.083 -172.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.5 p -130.36 178.6 6.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.815 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -66.65 -26.58 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.1 0.476 . . . . 0.0 109.862 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -72.31 -49.72 32.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.555 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.1 p -75.74 -1.85 26.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.086 0.47 . . . . 0.0 111.104 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 43.9 tp -95.9 -44.04 7.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.242 0.544 . . . . 0.0 110.05 171.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 tp -74.2 -16.73 60.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.772 -176.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.4 ' OD2' ' HD3' ' A' ' 119' ' ' ARG . 8.9 t70 -77.79 -20.6 53.0 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -177.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 m -87.59 -20.17 26.78 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 112.918 -1.946 . . . . 0.0 110.77 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.437 ' HB3' HG21 ' A' ' 70' ' ' THR . 91.3 mt -102.58 -40.26 6.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.185 -174.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.54 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 60.1 m -139.49 106.88 7.12 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.848 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.67 -13.34 38.49 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.743 2.296 . . . . 0.0 111.301 175.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.72 -14.4 62.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.368 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.92 -44.99 82.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.514 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.4 ' HD3' ' OD2' ' A' ' 112' ' ' ASP . 18.4 mtm180 -76.01 -34.01 59.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.095 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -62.91 -48.63 78.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.793 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.11 86.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.993 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -63.95 -45.32 89.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.92 -39.1 96.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.629 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.479 ' HA ' ' HG ' ' A' ' 127' ' ' LEU . 33.9 m-80 -74.31 -23.22 59.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.582 0.229 . . . . 0.0 111.087 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.12 -32.8 74.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.393 . . . . 0.0 110.324 177.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.74 -43.93 71.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.265 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.479 ' HG ' ' HA ' ' A' ' 124' ' ' ASN . 4.6 pp -76.89 -12.61 59.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.919 0.39 . . . . 0.0 110.682 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.8 -19.75 66.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.098 0.475 . . . . 0.0 110.325 177.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' A' ' 129' ' ' ARG . 2.2 mpt_? -67.77 -13.82 62.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.039 177.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.31 -42.56 79.22 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 173.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -70.49 -36.7 73.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.767 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.75 73.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.848 177.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.59 -45.25 76.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.689 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -64.75 -33.26 75.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.772 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -97.67 13.33 30.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.153 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -83.0 -49.39 9.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.009 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.58 164.52 39.7 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.794 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -123.67 127.02 47.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.13 0.49 . . . . 0.0 111.306 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.484 177.356 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -102.98 101.19 11.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.755 -172.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -126.71 -19.07 4.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.398 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -80.32 110.45 15.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.13 0.491 . . . . 0.0 110.917 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.0 t -146.92 -13.63 0.42 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.333 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.4 t30 56.98 86.53 0.16 Allowed Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.573 -172.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -76.1 65.16 7.03 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.775 2.317 . . . . 0.0 111.484 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 ttt -77.35 72.3 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.393 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -111.41 10.93 21.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.981 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 99.5 mt -110.45 151.71 27.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.281 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 p -78.07 117.97 19.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.457 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t -87.01 18.01 3.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.377 0.608 . . . . 0.0 110.92 -174.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.39 23.8 6.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.767 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.1 t -70.84 -31.91 68.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.626 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.37 58.97 4.96 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 175.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -84.38 19.31 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 0.0 111.441 -176.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -63.44 -26.86 68.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.483 0.659 . . . . 0.0 109.507 173.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -91.71 113.14 25.33 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.586 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.81 48.51 0.25 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.944 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 p -92.23 147.13 23.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.756 0.312 . . . . 0.0 110.26 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -79.08 105.84 10.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 0.0 110.078 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 pp -121.41 161.45 22.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.706 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -114.62 83.06 1.83 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.821 0.82 . . . . 0.0 110.114 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.52 -6.71 1.78 Allowed Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.287 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.705 ' HE2' ' HB ' ' A' ' 28' ' ' THR . 20.0 t80 -80.97 130.64 35.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -60.94 -66.41 0.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.948 -172.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.59 -105.4 0.25 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.196 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.705 ' HB ' ' HE2' ' A' ' 25' ' ' PHE . 20.3 m 55.33 86.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.446 0.641 . . . . 0.0 112.7 178.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -98.69 142.49 30.18 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 97.8 mmm -66.44 137.64 56.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.306 0.574 . . . . 0.0 112.037 -173.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -131.36 110.57 11.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 29.2 m-20 -62.3 115.86 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.525 0.202 . . . . 0.0 110.863 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 26.2 tpp -66.09 -19.03 65.72 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 120.927 0.394 . . . . 0.0 110.668 -178.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.56 -38.93 86.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.016 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 1.4 mt -78.21 -45.62 22.55 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.902 -177.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.41 -33.13 67.56 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.635 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.49 -49.84 65.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.201 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.31 -41.58 93.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.572 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.41 96.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.97 -47.48 90.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.049 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.32 -43.59 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.661 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -86.48 1.69 50.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.726 -176.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -93.49 -45.66 7.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -108.92 19.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.539 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.18 -30.62 64.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.928 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -82.71 -3.1 55.96 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.92 -0.22 51.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.284 0.564 . . . . 0.0 110.419 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.56 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 34.0 m -139.36 179.6 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.678 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -75.74 -63.2 1.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -138.26 151.92 48.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.17 177.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.4 ttt -154.17 135.44 14.06 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -160.66 160.8 31.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.617 0.246 . . . . 0.0 110.418 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.73 134.63 29.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 174.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.559 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 17.2 m -58.82 126.78 29.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.079 0.466 . . . . 0.0 112.227 -171.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -94.05 -3.46 51.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.412 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 m -109.05 3.85 22.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.56 0.695 . . . . 0.0 109.257 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' A' ' 65' ' ' TYR . 37.1 mt -126.03 -149.97 0.43 Allowed 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.988 -174.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.6 ptt85 -150.86 172.35 15.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.269 0.557 . . . . 0.0 111.734 -173.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.0 p -141.93 131.27 23.61 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.296 174.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' HB3' HG12 ' A' ' 63' ' ' VAL . . . -118.2 14.81 14.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.6 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' ' 33' ' ' MET . 66.7 m-20 70.98 -28.51 0.18 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.588 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 60' ' ' ALA . 10.8 t70 -79.46 -24.69 42.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.904 0.859 . . . . 0.0 108.768 166.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.468 HG12 ' HB3' ' A' ' 60' ' ' ALA . 14.7 p -143.37 146.25 21.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.099 -176.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.64 118.44 11.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.413 175.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.683 ' HB3' HD13 ' A' ' 57' ' ' LEU . 71.2 m-85 -87.57 124.43 33.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.773 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.0 mt -123.48 138.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.803 -175.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -107.43 124.51 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.03 176.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.86 138.64 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.118 0.485 . . . . 0.0 111.007 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.531 ' HB2' ' HZ ' ' A' ' 92' ' ' PHE . 41.2 tt0 -128.37 108.72 10.8 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 71.9 p -70.36 172.47 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.771 -174.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.525 ' HD3' ' HB1' ' A' ' 117' ' ' ALA . 43.5 mtpt -60.85 -28.99 69.24 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.107 0.479 . . . . 0.0 110.675 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' OE1' ' HD2' ' A' ' 116' ' ' PRO . 36.4 mt-10 -82.59 6.78 16.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.617 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 68.78 16.67 8.9 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.898 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -85.14 115.47 22.96 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -96.36 138.47 33.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.138 -172.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -131.53 150.82 52.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.843 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 8.2 t -114.94 121.44 43.19 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 173.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -111.05 131.05 55.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.417 0.627 . . . . 0.0 112.023 -171.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.527 ' HG2' HG23 ' A' ' 81' ' ' THR . 45.6 tt0 -101.6 97.56 7.97 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.916 173.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.447 HD13 ' HG ' ' A' ' 85' ' ' LEU . 52.0 tp -78.7 115.97 18.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.903 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.527 HG23 ' HG2' ' A' ' 79' ' ' GLU . 23.4 p -129.94 -171.4 2.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.901 -176.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -65.62 -19.69 66.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 110.726 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.04 5.28 52.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.18 -147.13 16.74 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.99 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.447 ' HG ' HD13 ' A' ' 80' ' ' LEU . 6.3 mp -96.97 124.67 41.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.159 0.504 . . . . 0.0 110.226 -178.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.616 ' HD2' ' HE1' ' A' ' 103' ' ' TYR . 62.3 tttt -121.05 142.07 50.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.94 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.547 ' HB ' HG21 ' A' ' 101' ' ' THR . 95.4 t -89.07 116.56 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.497 ' HB ' HG13 ' A' ' 95' ' ' VAL . 9.4 m -107.51 -1.53 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.891 0.377 . . . . 0.0 111.367 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . -177.88 163.97 32.6 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.07 -1.062 . . . . 0.0 112.595 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -120.22 33.85 5.44 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.868 0.842 . . . . 0.0 109.561 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -158.33 159.96 36.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.288 176.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.531 ' HZ ' ' HB2' ' A' ' 69' ' ' GLU . 78.5 m-85 -72.73 130.54 40.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 t0 70.01 21.05 6.31 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.771 0.796 . . . . 0.0 110.289 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.438 ' O ' ' HA3' ' A' ' 89' ' ' GLY . 34.0 tt0 -111.28 105.73 14.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.428 177.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.497 HG13 ' HB ' ' A' ' 88' ' ' VAL . 75.4 t -132.8 118.19 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.094 0.473 . . . . 0.0 111.913 -175.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.763 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 9.2 t70 -107.29 120.88 43.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 169.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -68.51 -31.02 69.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.195 -171.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -101.05 9.83 41.7 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -170.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.763 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 21.2 mt -65.08 116.93 6.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.022 0.439 . . . . 0.0 110.895 177.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -87.86 89.4 7.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.95 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.547 HG21 ' HB ' ' A' ' 87' ' ' VAL . 20.0 p -108.31 159.35 31.02 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.502 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -66.42 102.6 0.6 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.089 1.86 . . . . 0.0 112.809 -176.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.616 ' HE1' ' HD2' ' A' ' 86' ' ' LYS . 19.8 m-85 -63.54 122.26 15.87 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.965 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -123.19 132.2 53.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -77.29 -10.16 59.26 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.196 -172.407 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.7 p -127.28 142.86 51.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.157 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.61 -28.01 44.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.825 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -64.52 -49.13 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.128 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.6 t -61.65 -34.55 75.9 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.691 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.2 tp -76.02 -55.2 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.568 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.8 tp -62.69 -28.23 69.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.885 0.374 . . . . 0.0 110.517 -174.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.24 -38.66 85.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.777 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.6 p -76.61 -5.64 48.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.538 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 48.0 mt -115.47 -49.1 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.538 ' OG ' HG21 ' A' ' 70' ' ' THR . 35.9 m -128.98 124.8 22.61 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -173.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.494 ' HD2' ' OE1' ' A' ' 72' ' ' GLU . 42.9 Cg_endo -68.77 -16.2 41.51 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.827 2.351 . . . . 0.0 111.852 176.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.525 ' HB1' ' HD3' ' A' ' 71' ' ' LYS . . . -64.77 -24.37 67.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.309 0.576 . . . . 0.0 110.023 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -60.51 -50.94 71.57 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.044 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.47 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.05 -48.48 81.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.626 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.0 -43.29 19.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.454 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -62.75 -46.98 85.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.549 -178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.97 -37.59 94.84 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.845 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -62.8 -43.91 97.55 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.43 -41.19 93.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.333 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.65 -41.06 79.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.601 -178.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 128' ' ' GLN . 4.6 pp -74.69 -32.85 62.31 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.843 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.453 ' N ' HD12 ' A' ' 127' ' ' LEU . 5.8 tp-100 -70.3 -37.6 74.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.999 0.428 . . . . 0.0 109.918 176.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -54.14 -38.52 65.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.492 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 55.1 tp -86.97 -40.56 14.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.961 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 28.9 tt0 -66.74 -38.76 87.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.925 -175.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.62 -32.66 73.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.098 0.475 . . . . 0.0 110.679 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.2 tt -75.82 -27.85 58.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.62 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -75.29 -24.41 57.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.376 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 131' ' ' GLU . 95.7 mtt180 -82.5 -6.43 59.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.497 177.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -94.76 153.63 17.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.133 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.01 -131.35 9.86 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.69 98.27 2.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.202 0.525 . . . . 0.0 109.902 178.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.757 178.155 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 mtt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.815 0.341 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -91.78 -34.56 14.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 174.71 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 86.7 m -106.14 103.2 12.62 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.065 169.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -67.93 152.54 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.669 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.7 t -73.89 162.77 28.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.512 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.0 t30 63.07 77.92 0.31 Allowed Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.773 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -92.45 20.2 0.84 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.061 2.508 . . . . 0.0 111.739 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.6 mtp -71.58 103.21 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.829 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -81.34 113.3 19.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.703 -172.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.8 tp -92.76 111.25 22.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m -55.8 -59.19 5.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.556 -174.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.2 p -164.69 -82.79 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 mpt? 64.85 -70.15 0.09 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.71 0.804 . . . . 0.0 111.437 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 t -134.98 -24.38 1.46 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.984 0.421 . . . . 0.0 110.314 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.01 -161.58 40.68 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.916 -176.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -130.65 2.91 4.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -95.95 166.52 11.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.378 -171.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 68.34 15.69 9.27 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.267 175.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.42 60.28 1.74 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.015 176.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -76.2 -14.95 60.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.487 0.661 . . . . 0.0 109.743 173.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -141.06 143.03 34.13 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 tt -80.1 -76.88 0.21 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -96.89 77.82 2.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.382 0.611 . . . . 0.0 110.313 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 25' ' ' PHE . . . -127.33 131.72 7.28 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.937 177.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 24' ' ' GLY . 97.0 m-85 73.31 -53.85 0.69 Allowed 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.379 0.672 . . . . 0.0 110.695 -177.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -115.15 128.26 56.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.843 0.354 . . . . 0.0 110.789 177.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.65 74.87 0.43 Allowed Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.4 m -76.2 109.58 9.99 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -171.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 59.62 18.33 7.01 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.366 172.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.505 ' HA ' ' CE ' ' A' ' 30' ' ' MET . 10.9 mmt -81.0 118.33 22.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -80.23 138.23 36.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.996 -175.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.518 ' OD1' ' HB2' ' A' ' 34' ' ' ARG . 8.6 t70 -59.73 106.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.158 176.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.512 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 27.0 tpp -66.41 -19.44 65.8 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -177.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.518 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 77.2 mtm180 -70.3 -32.91 70.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.413 -175.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 5.9 mt -65.58 -52.52 51.63 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.372 0.606 . . . . 0.0 109.494 177.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.93 -31.99 69.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.545 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -67.97 -52.71 32.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.521 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.94 -37.14 86.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.888 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.36 97.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.062 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.519 HG13 HG11 ' A' ' 107' ' ' VAL . 37.0 t -65.54 -49.12 79.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.903 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 69.7 t -53.71 -53.89 23.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.669 -176.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.88 -34.19 77.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.672 -175.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.01 -50.14 37.38 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -171.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.8 m -96.36 4.89 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.589 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 7.6 tt -62.0 -28.91 69.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.961 0.41 . . . . 0.0 110.612 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -66.96 -19.63 65.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.473 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.83 7.52 37.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 111.509 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 31.8 m -130.58 -178.14 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -89.25 -37.83 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.105 0.479 . . . . 0.0 110.238 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -159.72 151.96 20.88 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.7 ttt -165.68 130.5 2.39 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -158.88 161.61 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.588 0.232 . . . . 0.0 110.617 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.21 140.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.604 ' CB ' HD23 ' A' ' 57' ' ' LEU . 8.6 m -72.66 160.63 31.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.898 -175.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -127.54 -4.22 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -172.377 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.536 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 4.5 m -110.51 12.53 22.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.534 0.683 . . . . 0.0 110.284 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.65 ' HG ' ' CB ' ' A' ' 65' ' ' TYR . 3.7 mm? -109.28 -150.74 0.46 Allowed 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.031 -176.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.423 ' H ' ' HB3' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -140.83 130.01 23.52 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.789 175.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 59.7 m -122.72 88.72 2.98 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.48 176.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -96.86 19.71 12.2 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.71 -175.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 33' ' ' MET . 80.4 m-20 78.6 -24.96 0.2 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.521 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.05 -33.46 73.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 168.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 p -143.76 154.47 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.355 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.07 117.35 4.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.003 172.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.65 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . 86.5 m-85 -86.89 128.7 35.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.061 0.457 . . . . 0.0 110.917 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.5 mt -118.09 132.65 67.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.612 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.576 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 84.6 m-20 -95.57 112.28 24.03 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 11.2 p -113.33 142.23 26.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.0 0.429 . . . . 0.0 110.708 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 42.5 tt0 -135.28 105.66 6.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.626 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 81.5 p -72.91 -177.18 2.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.58 -175.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -68.84 -21.65 64.27 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.956 0.407 . . . . 0.0 110.461 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -72.5 -5.97 40.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.08 174.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 66.23 20.06 11.08 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.216 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -92.76 119.26 31.95 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.678 ' HD3' ' H ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -96.41 141.45 29.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.068 -176.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -137.42 146.97 45.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.811 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.6 t -101.19 117.28 34.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 65' ' ' TYR . 70.0 mt -106.44 131.84 53.16 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.169 0.509 . . . . 0.0 111.454 -174.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.69 107.89 19.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.483 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.0 tp -89.19 115.34 26.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.997 0.427 . . . . 0.0 110.553 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 p -137.69 -169.13 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.423 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.72 -17.81 64.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.988 0.423 . . . . 0.0 110.771 176.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.48 -12.67 57.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.738 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.54 -146.01 17.8 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.783 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 85' ' ' LEU . 5.8 mp -105.38 118.36 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.835 0.35 . . . . 0.0 110.27 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 34.2 ttpt -113.78 138.0 50.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.472 -178.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.8 t -81.0 107.35 13.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 110.191 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.539 ' HB ' HG13 ' A' ' 95' ' ' VAL . 26.8 m -97.13 -10.34 8.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -173.77 160.61 30.78 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.079 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -109.07 35.56 3.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.492 0.663 . . . . 0.0 110.425 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -150.7 169.66 21.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.933 176.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.576 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 83.3 m-85 -74.16 125.45 28.39 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.497 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.614 ' HA ' HD21 ' A' ' 57' ' ' LEU . 13.5 m-20 65.63 19.39 11.44 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.65 0.594 . . . . 0.0 111.103 176.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -100.26 115.36 29.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.684 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.539 HG13 ' HB ' ' A' ' 88' ' ' VAL . 86.6 t -120.18 117.13 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.545 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.475 ' HB3' ' HG ' ' A' ' 99' ' ' LEU . 10.0 t70 -98.64 126.71 44.32 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -65.44 -26.9 68.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.992 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -95.43 3.46 54.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.362 -174.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.475 ' HG ' ' HB3' ' A' ' 96' ' ' ASP . 21.6 mt -89.72 114.58 26.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.15 0.5 . . . . 0.0 110.908 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -124.79 77.13 1.57 Allowed 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.8 p -85.83 157.11 57.95 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.926 -176.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -68.73 107.83 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.432 2.088 . . . . 0.0 111.625 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.552 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 1.0 OUTLIER -78.22 153.53 31.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.841 -179.061 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -120.65 143.34 48.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.32 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.454 ' HG3' ' H ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -62.92 -29.47 70.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -172.199 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.8 p -131.4 158.68 40.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.643 0.259 . . . . 0.0 110.76 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.519 HG11 HG13 ' A' ' 40' ' ' VAL . 10.3 p -65.24 -29.54 47.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.296 177.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -60.74 -53.69 54.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.26 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.5 m -60.17 -32.26 70.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.399 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.402 ' O ' ' HB ' ' A' ' 113' ' ' THR . 61.2 tp -73.78 -54.39 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.149 -176.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.67 -19.86 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.005 0.431 . . . . 0.0 111.259 -177.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.29 -18.15 53.25 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.966 1.365 . . . . 0.0 108.138 -177.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 110' ' ' LEU . 55.3 m -93.94 -14.96 25.4 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 112.704 -2.044 . . . . 0.0 110.665 -178.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.9 mt -114.83 -44.2 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -174.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 118' ' ' TYR . 63.8 m -108.59 117.19 54.86 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.134 0.492 . . . . 0.0 112.318 -172.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 38.3 Cg_endo -69.52 -33.01 18.42 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.434 2.089 . . . . 0.0 111.292 172.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.25 -19.4 59.76 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.004 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.497 ' HB2' ' HB2' ' A' ' 115' ' ' SER . 75.1 t80 -59.31 -43.68 92.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.752 178.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -67.55 -35.37 78.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.508 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -72.31 -49.84 31.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.635 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.42 -31.96 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.96 -175.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -59.83 -38.87 83.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 0.0 110.642 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -68.54 -26.51 74.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.376 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.07 -33.81 76.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.66 0.267 . . . . 0.0 111.409 -176.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.72 -48.9 23.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.094 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.8 mp -60.59 -39.35 87.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.135 0.493 . . . . 0.0 109.705 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.45 HD13 ' C ' ' A' ' 127' ' ' LEU . 1.6 tm? -62.68 -46.74 86.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.62 176.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -63.68 -21.64 66.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.158 0.504 . . . . 0.0 110.788 -176.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -79.01 -3.79 46.82 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.553 -175.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 mp -78.01 -20.7 52.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.18 -0.325 . . . . 0.0 111.116 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.582 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 50.3 mt-10 -62.44 -30.22 71.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.636 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.38 -32.58 39.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.594 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.88 -41.99 58.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.924 0.392 . . . . 0.0 111.071 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -72.02 -37.61 69.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.313 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 131' ' ' GLU . 31.8 mtp180 -77.36 -17.66 58.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.91 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.87 -55.82 4.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.81 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -146.56 113.43 0.67 Allowed Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.888 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -89.06 122.33 32.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.94 0.4 . . . . 0.0 110.462 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.955 176.74 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -104.64 165.3 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.775 0.321 . . . . 0.0 110.42 178.476 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -73.82 -16.44 61.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.292 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 t70 66.7 -176.98 0.2 Allowed 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.41 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.2 m -142.6 126.13 16.81 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -149.41 83.56 6.45 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.38 0.609 . . . . 0.0 111.486 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -90.54 -84.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.895 2.397 . . . . 0.0 112.108 175.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.455 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 2.7 tpt -160.7 78.57 0.62 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.4 -61.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.73 -174.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 mp -91.04 109.85 21.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.909 0.385 . . . . 0.0 110.113 175.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 m -80.6 -6.01 57.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.471 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 p -57.35 -42.37 81.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.24 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 28.0 ttt -134.09 99.31 4.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.805 176.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.0 t -82.95 167.84 17.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.86 -169.65 19.59 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.091 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -117.66 87.52 2.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.293 0.568 . . . . 0.0 109.583 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -96.53 152.17 18.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.484 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.74 101.68 2.63 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.15 59.04 0.45 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.703 -0.76 . . . . 0.0 113.17 -172.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m 69.37 -175.54 0.2 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.134 0.493 . . . . 0.0 111.736 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -94.32 150.01 20.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.54 -178.039 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.6 mt -77.38 84.87 3.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.098 0.475 . . . . 0.0 110.075 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -104.72 -8.94 18.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.737 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.26 100.03 1.36 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.652 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -74.12 98.45 3.13 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.881 0.372 . . . . 0.0 110.603 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' A' ' 27' ' ' GLY . 3.3 mp0 60.91 -156.94 0.34 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.803 -177.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' H ' ' HB3' ' A' ' 26' ' ' GLU . . . 143.28 -55.31 0.57 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.324 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.4 m -80.36 98.32 7.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -72.74 131.36 42.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.458 -176.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 85.2 mtp 64.59 96.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 O-C-N 124.122 0.889 . . . . 0.0 111.226 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -94.46 113.12 24.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.837 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.711 ' HA ' ' HA ' ' A' ' 61' ' ' ASP . 8.1 t70 -62.95 113.92 3.36 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.594 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 22.2 tpp -64.26 -6.43 6.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.284 -171.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.653 ' HB2' ' OD1' ' A' ' 32' ' ' ASP . 3.5 ttm180 -53.95 -42.09 68.51 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 123.026 0.53 . . . . 0.0 110.974 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 32' ' ' ASP . 3.1 mt -63.48 -50.58 69.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.144 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -65.45 -30.15 70.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.815 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -68.3 -53.75 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.093 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.27 -29.14 68.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.039 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.69 -56.45 17.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.288 174.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.508 ' O ' HG22 ' A' ' 44' ' ' VAL . 78.7 t -55.27 -40.77 57.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.309 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.61 HG21 HG13 ' A' ' 53' ' ' VAL . 97.7 t -55.8 -36.65 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.539 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -84.49 -43.59 14.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.75 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.38 -44.72 80.48 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.241 -175.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 40' ' ' VAL . 33.5 m -106.85 16.36 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.851 -177.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 62.2 tp -59.1 -46.46 88.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 111.489 -177.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.535 ' HD1' ' HB1' ' A' ' 121' ' ' ALA . 45.3 p90 -75.69 -8.41 56.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.78 -175.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.7 -16.64 35.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.074 0.464 . . . . 0.0 110.708 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.571 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 26.9 m -122.67 -169.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.657 -178.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 54.8 t30 -94.01 -42.71 8.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.317 0.58 . . . . 0.0 109.733 178.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -149.01 143.23 25.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.906 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.544 ' HB3' HG13 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -136.58 118.0 14.72 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.177 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HD2' ' O ' ' A' ' 54' ' ' SER . 33.4 t80 -141.7 129.38 21.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.691 0.281 . . . . 0.0 110.807 -173.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.61 HG13 HG21 ' A' ' 41' ' ' VAL . 3.4 m -76.74 115.22 18.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.02 0.438 . . . . 0.0 110.921 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.616 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 1.2 m 52.82 -149.75 0.38 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.154 -177.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 54' ' ' SER . 2.6 ttpm? 166.55 -40.21 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.1 m -139.17 6.96 2.39 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 113.783 -1.553 . . . . 0.0 109.277 175.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 65' ' ' TYR . 25.4 mt -98.0 -144.81 0.31 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.454 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -165.86 167.38 16.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.83 0.348 . . . . 0.0 110.769 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.9 p -132.44 95.45 3.63 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.63 85.05 2.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.256 -174.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.711 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 24.7 t70 59.71 -82.28 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.154 0.908 . . . . 0.0 112.537 173.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.52 -30.72 63.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.329 -174.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.92 136.96 52.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.007 0.432 . . . . 0.0 111.456 -175.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 33' ' ' MET . . . -129.3 109.07 10.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.071 173.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.852 ' HB3' HD13 ' A' ' 57' ' ' LEU . 57.7 m-85 -86.27 119.06 26.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.92 0.39 . . . . 0.0 110.73 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.8 mt -120.88 140.82 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.798 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.538 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . 91.2 m-20 -111.23 112.67 24.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.542 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.492 HG23 ' HG2' ' A' ' 51' ' ' MET . 10.7 p -118.33 142.5 32.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.253 0.549 . . . . 0.0 110.988 -176.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.571 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 33.9 tt0 -122.7 112.49 18.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.343 175.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.438 ' HA ' HG12 ' A' ' 48' ' ' VAL . 71.5 p -62.53 169.94 2.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.739 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 16.3 ptpt -76.08 -0.36 21.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.68 178.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 16.0 tt0 -85.9 -4.97 59.29 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 169.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 60.34 44.63 12.11 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.283 -174.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -109.28 132.7 53.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.555 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 3.7 mpt_? -96.97 129.69 44.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.049 0.452 . . . . 0.0 111.313 -170.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -133.13 129.41 37.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.226 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 91' ' ' ALA . 12.2 t -97.2 116.62 29.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.8 mt -110.58 128.72 55.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.314 0.578 . . . . 0.0 111.571 -173.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -97.14 101.59 13.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.188 175.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 64' ' ' ALA . 57.5 tp -83.21 117.84 23.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.15 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.1 p -138.05 -170.66 2.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.067 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.79 -14.4 62.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.965 0.412 . . . . 0.0 110.517 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.57 2.1 55.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.395 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.44 -143.81 15.82 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.075 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.459 ' HB2' HD22 ' A' ' 110' ' ' LEU . 5.7 mp -105.21 110.89 23.43 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -178.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.474 ' HE3' HG12 ' A' ' 88' ' ' VAL . 4.6 tmtm? -113.57 124.78 53.16 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.344 -176.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.24 128.26 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.694 -177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.501 HG21 HG22 ' A' ' 95' ' ' VAL . 13.2 m -114.31 -9.55 12.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.878 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.46 163.02 31.96 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.427 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -107.71 30.81 5.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.23 0.538 . . . . 0.0 110.205 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 77' ' ' CYS . . . -153.52 163.47 39.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.679 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CD1' ' HB3' ' A' ' 67' ' ' ASN . 17.2 m-85 -65.39 122.45 17.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.875 0.369 . . . . 0.0 110.987 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.587 ' HA ' HD11 ' A' ' 57' ' ' LEU . 14.2 m-20 66.77 24.16 9.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.451 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.77 ' HA ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -98.69 108.54 21.26 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.57 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.501 HG22 HG21 ' A' ' 88' ' ' VAL . 86.2 t -122.11 115.09 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.83 0.348 . . . . 0.0 111.602 -176.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.471 ' OD2' ' HB2' ' A' ' 98' ' ' HIS . 31.5 t70 -126.49 111.96 15.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.515 171.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.85 -9.7 58.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.143 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.471 ' HB2' ' OD2' ' A' ' 96' ' ' ASP . 61.9 m80 -73.56 -19.18 60.96 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.95 114.95 6.93 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.411 169.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' A' ' 100' ' ' GLN . 2.2 pt20 -112.43 48.93 0.95 Allowed 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.522 0.677 . . . . 0.0 110.215 -175.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.6 p -67.39 138.24 94.01 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.439 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.99 129.17 32.93 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.642 2.228 . . . . 0.0 112.62 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -64.74 131.43 46.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.253 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -108.05 134.88 50.31 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -78.15 -45.04 24.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.426 -171.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.4 p -110.1 139.8 44.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.39 . . . . 0.0 111.491 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.28 -24.2 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.596 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -56.2 -60.76 3.04 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.461 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -70.2 -34.29 72.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.908 -176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.592 ' O ' HG22 ' A' ' 113' ' ' THR . 38.4 tp -65.22 -57.52 8.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.821 0.343 . . . . 0.0 111.403 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.482 HD21 HG13 ' A' ' 48' ' ' VAL . 27.5 tp -66.08 -31.92 73.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.167 -174.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.17 -37.75 88.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.294 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 110' ' ' LEU . 4.9 t -78.86 -17.0 56.34 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.437 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 97.4 mt -83.97 -46.35 12.15 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 75.7 m -137.74 112.88 9.11 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.166 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.1 -9.7 20.47 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.721 2.281 . . . . 0.0 111.678 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.541 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -71.95 -5.48 35.09 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.577 175.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.443 ' CD1' HD23 ' A' ' 111' ' ' LEU . 91.1 t80 -61.21 -48.58 80.86 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.838 174.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.645 ' HA ' ' HB3' ' A' ' 122' ' ' PHE . 43.7 mtm180 -74.81 -10.25 59.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.849 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.536 ' HG2' ' HA ' ' A' ' 117' ' ' ALA . 43.2 mm-40 -67.29 -50.01 61.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 171.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.535 ' HB1' ' HD1' ' A' ' 46' ' ' PHE . . . -76.9 -35.48 57.36 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.5 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.645 ' HB3' ' HA ' ' A' ' 119' ' ' ARG . 56.8 t80 -66.06 -35.92 81.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.368 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.78 -35.3 91.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.632 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.434 HD22 ' C ' ' A' ' 124' ' ' ASN . 0.2 OUTLIER -65.75 -34.46 78.23 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.462 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.09 -29.05 70.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.515 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.91 -54.11 17.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.737 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.85 -13.54 61.7 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.236 0.541 . . . . 0.0 110.785 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.413 HE21 ' HB2' ' A' ' 132' ' ' ALA . 56.9 tp60 -63.04 -21.07 65.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.423 177.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -55.15 -52.92 61.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.743 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.74 -24.08 58.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.04 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -73.97 -54.8 7.13 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.438 ' HA ' ' HB3' ' A' ' 135' ' ' ARG . . . -65.82 -26.83 67.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.386 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 43.0 tp -60.66 -29.7 69.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.797 177.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -94.79 -16.28 23.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.099 0.476 . . . . 0.0 110.085 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.438 ' HB3' ' HA ' ' A' ' 132' ' ' ALA . 61.4 ttt180 -83.75 -44.44 14.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.135 -175.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.1 104.5 8.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.264 -177.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -81.2 150.96 30.92 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.433 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.518 ' CD ' ' H ' ' A' ' 138' ' ' GLN . 5.0 pm0 -81.89 41.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.272 0.558 . . . . 0.0 110.863 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.247 0.95 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.104 0.478 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.1 mp0 -57.6 103.23 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.609 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.2 p 42.68 74.13 0.12 Allowed 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.684 0.615 . . . . 0.0 111.203 -173.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -86.19 57.62 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.412 0.625 . . . . 0.0 110.159 -174.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.6 m -135.91 140.42 44.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.975 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -111.29 143.61 28.79 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.26 126.13 20.63 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.958 2.439 . . . . 0.0 113.222 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.9 ttt -116.51 96.41 5.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.534 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 58.35 -164.71 0.19 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.066 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tt 53.24 75.5 0.25 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.82 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.1 t -127.76 90.86 3.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.021 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.3 t -73.13 145.12 46.64 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 28.0 ttt -77.3 80.73 3.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.137 0.494 . . . . 0.0 110.817 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.1 m -75.9 91.12 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.916 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.31 -105.33 0.67 Allowed Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.168 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -137.9 129.32 27.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.592 0.234 . . . . 0.0 110.916 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 61.86 31.97 18.13 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.457 174.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.19 -89.48 0.35 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 171.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.16 -67.78 1.76 Allowed Glycine 0 CA--C 1.521 0.466 0 C-N-CA 121.315 -0.469 . . . . 0.0 114.075 173.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -162.33 -144.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -173.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 73.55 6.72 5.06 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.626 0.771 . . . . 0.0 111.737 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.6 mt -87.52 66.24 8.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.122 0.487 . . . . 0.0 109.725 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -77.6 105.26 8.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.865 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.45 176.22 35.19 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.006 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -90.38 28.98 1.33 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.533 0.206 . . . . 0.0 111.246 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 72.32 2.36 4.3 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.88 175.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.78 -22.8 71.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.802 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.1 m -132.0 97.72 4.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.884 0.373 . . . . 0.0 110.586 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.12 -58.55 3.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.413 0.625 . . . . 0.0 109.427 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -171.48 171.95 5.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.603 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 24.2 pttt -120.64 110.69 16.72 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.989 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.569 ' HB2' ' HG ' ' A' ' 35' ' ' LEU . 4.1 m-20 -80.68 134.45 35.86 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 167.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.7 tpp -62.92 -16.45 59.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.278 0.561 . . . . 0.0 109.662 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 34' ' ' ARG . 58.4 mtt180 -61.1 -34.15 74.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.634 174.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' HB2' ' A' ' 32' ' ' ASP . 7.7 mt -78.43 -46.81 18.9 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.18 -176.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.85 -26.02 68.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.264 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -74.89 -47.87 27.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.359 177.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -59.13 -38.55 79.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.481 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.08 92.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.629 178.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.521 HG13 HG11 ' A' ' 107' ' ' VAL . 53.4 t -64.96 -51.02 71.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.225 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.558 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 79.7 t -55.64 -43.54 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.632 -177.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -81.8 -3.83 54.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.08 -52.48 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.071 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.775 ' HA ' ' HZ ' ' A' ' 122' ' ' PHE . 35.0 m -93.94 8.81 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 65.1 tp -57.65 -30.62 65.55 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.036 0.446 . . . . 0.0 111.211 178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -72.01 -9.56 58.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.589 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.53 -14.85 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.671 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 29.9 m -127.2 -171.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.499 0.19 . . . . 0.0 111.318 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -82.41 -58.22 3.02 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.208 0.528 . . . . 0.0 110.157 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -143.2 147.11 34.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.469 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.8 ttt -151.73 135.61 16.44 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -151.77 134.93 15.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.431 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 p -75.93 126.2 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.515 ' CB ' HD23 ' A' ' 57' ' ' LEU . 8.8 m -74.48 123.35 24.56 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.552 0.692 . . . . 0.0 111.846 -171.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -99.29 13.69 32.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.307 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.41 ' C ' HD22 ' A' ' 57' ' ' LEU . 2.8 p -114.17 22.51 13.75 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.416 0.627 . . . . 0.0 110.435 -174.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.598 ' HG ' ' HB2' ' A' ' 65' ' ' TYR . 4.3 mm? -122.77 -155.22 0.64 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.463 -175.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 58' ' ' ARG . 7.5 ptp85 -111.32 13.74 21.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.487 -176.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 3.2 m -53.78 131.98 40.54 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.786 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.25 -70.6 0.16 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.599 0.714 . . . . 0.0 111.455 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -110.14 -68.97 0.89 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.277 -165.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.49 ' O ' ' HA ' ' A' ' 81' ' ' THR . 13.4 t70 -116.78 -2.71 11.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.234 0.54 . . . . 0.0 110.735 -175.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 11.2 p -122.35 131.65 72.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.675 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.44 129.8 18.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.38 175.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.598 ' HB2' ' HG ' ' A' ' 57' ' ' LEU . 37.6 m-85 -93.35 121.61 34.91 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.0 mt -113.53 131.75 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.081 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.466 ' HB3' ' HD1' ' A' ' 92' ' ' PHE . 8.3 m120 -101.21 113.14 25.92 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.301 0.572 . . . . 0.0 110.005 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -121.75 140.95 44.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.425 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.671 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 30.5 tt0 -115.22 110.34 19.32 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.622 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 68.0 p -66.49 171.9 4.58 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.402 ' HG3' ' HA ' ' A' ' 48' ' ' VAL . 89.1 mttt -75.38 1.47 13.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.054 0.454 . . . . 0.0 110.979 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -96.8 6.02 49.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 67.34 22.05 9.62 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.279 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.05 124.01 34.41 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.38 117.24 29.98 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -112.53 132.06 55.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.94 0.4 . . . . 0.0 110.723 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.08 101.95 14.48 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 171.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.7 mt -94.63 134.96 36.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.191 0.519 . . . . 0.0 111.235 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 85' ' ' LEU . 27.3 tt0 -94.35 104.09 16.08 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.54 177.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.2 tp -91.86 109.52 20.85 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.553 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 62' ' ' ASP . 79.7 p -130.23 169.16 15.75 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.01 -28.91 68.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.957 0.408 . . . . 0.0 110.412 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.6 -24.19 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.323 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.63 -179.74 22.47 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.086 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.502 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 6.0 mp -109.99 130.69 55.5 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.547 ' HG2' ' HA ' ' A' ' 103' ' ' TYR . 23.4 mtmm -120.58 160.59 22.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.42 ' HB ' HG21 ' A' ' 101' ' ' THR . 50.3 t -89.59 113.14 25.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 19.3 m -115.55 23.14 5.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.667 0.27 . . . . 0.0 111.232 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 94' ' ' GLN . . . 172.15 150.72 7.4 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.051 -1.071 . . . . 0.0 112.762 176.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -112.02 28.57 8.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.975 0.417 . . . . 0.0 110.785 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 94' ' ' GLN . . . -157.87 169.64 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.394 177.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.466 ' HD1' ' HB3' ' A' ' 67' ' ' ASN . 56.4 m-85 -69.19 135.02 50.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.024 178.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p30 46.39 24.6 0.31 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.183 0.993 . . . . 0.0 113.237 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.442 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 48.7 tt0 -111.31 116.95 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.167 176.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.62 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 66.1 t -98.97 108.66 22.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.154 0.502 . . . . 0.0 110.615 176.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -83.03 97.45 8.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -71.7 -13.82 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.42 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -81.23 -10.78 59.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.95 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.77 136.34 48.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.988 0.423 . . . . 0.0 111.132 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -124.86 18.77 8.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.532 -177.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.2 t -55.03 135.45 67.48 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.884 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 9.3 Cg_exo -70.5 158.2 56.68 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.948 2.432 . . . . 0.0 112.948 -177.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.547 ' HA ' ' HG2' ' A' ' 86' ' ' LYS . 17.3 m-85 -63.17 132.76 52.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.943 175.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -101.34 151.44 21.9 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.748 172.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.635 ' CD ' ' H ' ' A' ' 105' ' ' GLU . 1.4 mp0 -54.96 -66.96 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.531 -173.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.2 p -130.3 167.79 17.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.25 -175.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.521 HG11 HG13 ' A' ' 40' ' ' VAL . 14.7 p -72.06 -22.57 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.975 0.417 . . . . 0.0 109.928 176.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -69.54 -49.89 50.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.2 p -75.07 -26.87 59.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.975 0.417 . . . . 0.0 110.569 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.0 tp -69.67 -50.72 41.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.746 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.1 -25.48 68.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.176 0.512 . . . . 0.0 109.861 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.68 -41.17 94.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.195 176.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.4 p -76.63 -15.12 59.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.215 -177.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.478 ' HB3' HG21 ' A' ' 70' ' ' THR . 46.7 mt -102.17 -19.03 15.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.201 -173.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.622 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 70.8 m -155.61 110.61 2.19 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.294 176.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 115' ' ' SER . 29.4 Cg_endo -63.97 -20.85 68.47 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.587 2.191 . . . . 0.0 111.848 178.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.1 -10.87 60.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.083 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -56.68 -33.27 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.888 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -75.88 -26.96 57.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.279 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -91.09 -0.04 57.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.626 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.81 -67.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.646 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.775 ' HZ ' ' HA ' ' A' ' 44' ' ' VAL . 75.5 m-85 -78.82 -33.56 46.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.494 -177.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.46 -43.83 90.31 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.988 175.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -69.99 -32.57 70.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.017 0.437 . . . . 0.0 110.24 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.1 -46.45 64.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.043 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.59 -38.83 87.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.201 0.524 . . . . 0.0 109.829 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.459 HD13 ' C ' ' A' ' 127' ' ' LEU . 1.6 tm? -56.23 -42.49 77.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.632 176.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.93 -28.41 70.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.492 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -65.97 -25.68 67.22 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.695 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 134' ' ' LYS . 8.4 mp -92.97 -38.18 11.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.293 176.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.31 -41.29 94.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.01 -37.72 88.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.364 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 133' ' ' LEU . 5.8 tt -67.25 -31.23 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.74 178.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 130' ' ' LEU . 74.6 mmtt -63.77 -41.74 97.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.368 175.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -75.74 -31.28 59.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.148 0.499 . . . . 0.0 110.679 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -138.2 97.62 3.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.537 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 140.61 164.71 10.02 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.91 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -116.55 93.72 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.174 0.511 . . . . 0.0 111.056 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 56.3 m . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.573 176.254 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 tpt . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 66.15 129.23 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.591 0.756 . . . . 0.0 111.146 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 m 62.14 32.74 17.29 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.852 0.834 . . . . 0.0 109.132 -175.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.89 125.77 22.86 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.947 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.5 m -86.87 -4.72 59.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.892 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -97.65 109.54 51.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.339 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -92.19 7.89 3.04 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.983 2.455 . . . . 0.0 113.499 -175.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.9 105.66 8.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.306 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -99.81 131.46 45.77 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.126 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tt -81.12 -63.73 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.6 m -152.29 85.91 1.28 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.1 m 61.3 -86.5 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.297 -172.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -131.61 -76.05 0.52 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.478 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 57.5 m -161.28 -179.09 7.14 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 176.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.88 78.04 1.08 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.332 178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 14' ' ' SER . 65.3 m-85 -124.26 173.74 8.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.73 0.3 . . . . 0.0 110.298 178.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -93.03 177.85 5.94 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.467 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -73.97 -43.43 58.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.015 0.436 . . . . 0.0 110.446 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.09 -162.94 46.81 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.475 -177.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 m -134.58 -77.49 0.46 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.927 0.364 . . . . 0.0 110.357 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -145.15 128.0 16.37 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.491 HD12 ' HE2' ' A' ' 25' ' ' PHE . 3.9 mm? 63.03 -165.84 0.23 Allowed 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.593 0.558 . . . . 0.0 110.163 -173.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -128.59 -63.63 0.97 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.66 0.267 . . . . 0.0 110.52 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.83 106.75 0.2 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.894 -1.146 . . . . 0.0 113.28 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.491 ' HE2' HD12 ' A' ' 22' ' ' LEU . 95.3 m-85 -110.16 16.97 21.45 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 173.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HB3' ' H ' ' A' ' 27' ' ' GLY . 13.8 mp0 -92.36 -145.51 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.938 -176.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.433 ' H ' ' HB3' ' A' ' 26' ' ' GLU . . . 102.17 -125.23 8.46 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 110.104 -1.199 . . . . 0.0 110.104 -173.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.5 m 62.34 108.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 174.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -56.73 130.12 44.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.161 172.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -48.64 97.48 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.737 0.648 . . . . 0.0 112.385 -172.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -127.73 30.75 5.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.192 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 4.3 m-20 -54.42 128.89 33.72 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.725 177.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -35.21 76.15 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -167.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 47.7 ttt180 -73.26 -21.77 60.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.131 -175.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' A' ' 32' ' ' ASP . 22.7 mt -76.83 -45.07 29.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.191 0.52 . . . . 0.0 109.711 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 40' ' ' VAL . 61.4 mm-40 -68.38 -18.79 64.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.191 173.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -73.65 -45.35 53.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.127 177.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 34' ' ' ARG . 56.1 mm-40 -55.31 -40.27 70.92 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.035 175.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.92 83.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.08 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 36' ' ' GLU . 90.6 t -59.48 -45.56 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.302 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.568 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 97.4 t -58.22 -35.85 55.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 111.318 -178.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -84.12 -27.81 27.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.056 0.455 . . . . 0.0 110.773 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.71 -50.76 12.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.216 -172.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 m -106.26 15.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 51.5 tp -56.47 -38.89 72.31 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -74.44 -3.58 31.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -174.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.55 -13.84 27.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.942 0.401 . . . . 0.0 110.76 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.604 ' HB ' ' HA ' ' A' ' 70' ' ' THR . 33.5 m -128.43 -168.92 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -98.46 -37.0 9.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.33 -174.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -167.68 128.56 1.45 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.745 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.505 ' HG2' HG23 ' A' ' 68' ' ' VAL . 82.0 mtp -119.14 141.79 48.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.634 0.254 . . . . 0.0 110.406 177.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -155.84 120.22 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 -176.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.64 141.66 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.478 ' HB3' HD13 ' A' ' 57' ' ' LEU . 19.6 m -62.44 158.08 18.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.434 0.635 . . . . 0.0 112.519 -171.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -132.6 -6.47 3.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.464 -176.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.547 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 50.1 m -110.81 7.34 21.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.953 0.406 . . . . 0.0 111.308 -176.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' A' ' 54' ' ' SER . 4.9 mp -122.22 -153.12 0.53 Allowed 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -123.0 143.41 49.95 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 120.925 0.393 . . . . 0.0 110.377 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.5 p -128.68 97.89 4.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.805 174.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.84 5.91 48.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.991 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 70.58 0.65 3.35 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.535 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -94.63 -17.35 22.38 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 162.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.1 p -144.69 139.52 23.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 113.94 -1.482 . . . . 0.0 109.195 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 80' ' ' LEU . . . -142.92 118.03 10.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.781 0.324 . . . . 0.0 110.511 176.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -86.82 123.15 31.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.378 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.41 HD11 ' HB1' ' A' ' 37' ' ' ALA . 60.9 mt -118.97 134.36 62.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -96.96 134.54 40.18 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.505 HG23 ' HG2' ' A' ' 51' ' ' MET . 4.5 p -134.3 113.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.711 0.767 . . . . 0.0 111.058 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 40.1 tt0 -95.55 109.65 21.84 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 173.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.604 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 43.1 p -73.48 176.06 6.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.54 -177.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.447 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 85.3 mttt -75.5 0.15 18.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 110.54 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -88.88 0.99 56.08 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 171.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 66.79 19.78 10.68 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.376 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -96.42 133.37 40.92 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -96.1 111.07 23.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -108.83 126.1 52.68 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.824 0.345 . . . . 0.0 110.118 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.46 ' O ' HG22 ' A' ' 88' ' ' VAL . 12.9 t -96.34 131.7 42.6 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 80.0 mt -121.71 137.64 54.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.216 0.531 . . . . 0.0 111.376 -174.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 81' ' ' THR . 43.9 tt0 -93.76 101.57 13.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 64' ' ' ALA . 60.9 tp -81.66 115.69 21.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.735 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.49 HG23 ' HG2' ' A' ' 79' ' ' GLU . 74.3 p -127.32 178.36 6.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.356 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -74.8 -9.97 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.36 0.6 . . . . 0.0 109.455 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.41 -13.37 30.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.892 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.96 -165.9 24.76 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.732 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 mp -109.07 118.77 37.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.687 0.279 . . . . 0.0 110.273 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.589 ' HB2' ' HB3' ' A' ' 103' ' ' TYR . 52.3 tttp -113.33 142.1 46.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 -177.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.575 ' HB ' ' HB ' ' A' ' 101' ' ' THR . 44.0 t -74.83 125.77 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.682 ' HB ' ' CB ' ' A' ' 95' ' ' VAL . 21.7 m -105.98 -25.81 3.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -178.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.39 169.73 42.6 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.501 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -102.04 21.45 14.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.756 0.312 . . . . 0.0 110.462 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.8 165.14 27.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.041 0.448 . . . . 0.0 110.927 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.17 124.31 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.147 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 56' ' ' SER . 24.0 m-20 64.29 34.49 10.64 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.579 0.549 . . . . 0.0 110.915 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.754 ' HA ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -122.72 127.04 48.71 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -175.429 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.682 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . 2.6 p -136.46 137.88 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.92 170.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -101.91 136.68 41.33 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.78 -32.46 73.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.814 -173.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -107.05 17.96 22.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.871 0.367 . . . . 0.0 111.515 -175.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 mt -79.59 106.07 11.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.132 0.491 . . . . 0.0 110.218 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -92.43 28.38 1.98 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.523 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.575 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -54.54 134.74 63.23 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.209 176.398 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 101' ' ' THR . 35.3 Cg_exo -60.39 166.63 9.14 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 123.223 2.615 . . . . 0.0 113.332 -175.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.589 ' HB3' ' HB2' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -133.85 151.16 51.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.246 178.687 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -117.82 174.52 6.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.027 0.441 . . . . 0.0 111.701 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.493 ' H ' ' CD ' ' A' ' 105' ' ' GLU . 26.9 mp0 -66.7 -64.08 0.93 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.807 -176.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 64.6 p -123.14 176.26 6.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.069 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 p -68.53 -25.99 32.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.034 0.445 . . . . 0.0 109.874 176.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -66.88 -56.76 8.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.709 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.3 p -71.68 -6.66 42.74 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.934 0.397 . . . . 0.0 111.375 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.7 tp -96.23 -55.42 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.955 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.477 HD23 ' CD1' ' A' ' 118' ' ' TYR . 15.5 tp -63.05 -25.31 68.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.351 0.596 . . . . 0.0 109.821 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -63.13 -31.22 72.31 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.968 177.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 43.1 p -91.38 -2.52 57.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.898 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 76.3 mt -115.62 -60.24 1.9 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.107 -171.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 67.0 m -99.41 119.04 61.27 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -170.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -60.53 -31.59 92.56 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.815 2.344 . . . . 0.0 111.307 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -65.06 -31.57 72.85 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.477 ' CD1' HD23 ' A' ' 111' ' ' LEU . 81.5 t80 -61.0 -38.17 85.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.571 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 119' ' ' ARG . 8.5 mmm180 -59.42 -46.96 87.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.469 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -69.91 -42.8 72.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.82 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.16 90.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.232 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -67.4 -42.22 83.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.167 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.74 -36.97 92.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.175 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -55.72 -41.81 74.37 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.938 0.399 . . . . 0.0 110.919 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.75 84.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.972 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.23 -46.07 61.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.558 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 128' ' ' GLN . 4.4 pp -69.54 -26.97 64.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.674 0.273 . . . . 0.0 111.319 -177.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.422 ' N ' HD12 ' A' ' 127' ' ' LEU . 19.9 tm0? -75.36 -25.85 58.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.156 0.503 . . . . 0.0 109.762 178.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -66.26 -23.6 66.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.97 -51.87 62.29 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.936 0.398 . . . . 0.0 110.311 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.556 ' O ' ' HG3' ' A' ' 135' ' ' ARG . 7.8 pt-20 -71.03 -30.43 66.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.666 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.1 68.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.027 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 98.1 mt -63.76 -44.07 94.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 0.0 110.731 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -80.74 -19.18 45.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.842 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 131' ' ' GLU . 91.9 mtt-85 -77.42 -20.75 54.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.078 0.466 . . . . 0.0 109.863 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -87.73 -53.43 4.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.753 172.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 178.88 -106.26 0.21 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.913 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -153.91 -169.38 3.25 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -173.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.541 178.475 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -150.13 -25.34 0.25 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.07 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.7 p -72.77 -70.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.386 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 55.49 68.39 0.87 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.205 0.526 . . . . 0.0 109.844 -175.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.4 t -90.36 29.52 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.291 -172.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.432 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . 3.8 p-10 43.4 93.09 0.05 OUTLIER Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 124.26 1.024 . . . . 0.0 113.353 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 6' ' ' ASN . 38.1 Cg_endo -67.02 136.72 42.05 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.623 2.216 . . . . 0.0 112.116 178.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mmm -79.41 -36.52 38.95 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -83.55 104.28 13.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.224 174.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -80.0 -35.57 37.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.997 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m 60.47 13.14 3.92 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.589 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.642 ' HB3' ' HZ ' ' A' ' 16' ' ' PHE . 50.5 m -149.48 106.02 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.1 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 84.6 mtp -108.61 166.84 10.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.394 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.5 m -58.64 131.36 50.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.46 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.44 -43.08 0.43 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.885 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.642 ' HZ ' ' HB3' ' A' ' 12' ' ' SER . 42.3 p90 -98.34 33.96 2.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.884 0.373 . . . . 0.0 111.841 -174.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -88.67 28.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.72 0.295 . . . . 0.0 111.444 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.9 113.34 2.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.256 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.94 -175.7 46.46 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.591 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.727 ' HA ' ' HB2' ' A' ' 23' ' ' ASN . 45.7 m 60.52 32.93 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.234 0.54 . . . . 0.0 110.726 -177.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 78.7 mm-40 -71.15 107.89 4.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.449 176.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 76.0 mt 70.3 25.3 4.54 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.875 0.734 . . . . 0.0 110.314 -171.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.727 ' HB2' ' HA ' ' A' ' 20' ' ' SER . 19.1 m120 -123.89 108.55 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.064 177.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.33 29.26 5.47 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.628 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -95.48 102.42 14.22 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 176.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.501 ' HG3' ' H ' ' A' ' 28' ' ' THR . 15.6 tp10 -133.78 155.28 50.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.597 -172.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.28 -25.87 62.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.095 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.501 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 25.2 m -132.68 123.83 27.06 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 176.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -78.76 174.68 11.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 177.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 69.8 mtm -85.04 90.11 7.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.188 0.518 . . . . 0.0 109.836 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -85.44 158.12 20.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.816 -175.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.523 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 66.7 t0 -106.88 121.53 44.6 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 175.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.423 ' SD ' ' HG ' ' A' ' 80' ' ' LEU . 33.0 tpp -61.68 -22.74 65.58 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.573 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 ttp85 -63.94 -28.2 69.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.28 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.523 ' HG ' ' HB3' ' A' ' 32' ' ' ASP . 12.7 mt -71.4 -48.9 46.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.19 0.519 . . . . 0.0 109.933 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 40' ' ' VAL . 40.1 mt-10 -65.87 -26.76 67.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.318 174.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB1' HD11 ' A' ' 66' ' ' ILE . . . -67.45 -53.01 32.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.674 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -58.55 -35.87 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.412 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.3 -48.62 79.05 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.661 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' O ' HG22 ' A' ' 44' ' ' VAL . 78.6 t -62.9 -49.76 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.027 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.579 ' HA ' ' SD ' ' A' ' 51' ' ' MET . 69.0 t -53.81 -47.88 62.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.423 -178.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -70.83 -35.3 72.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.378 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.58 -50.16 22.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.333 -0.394 . . . . 0.0 112.032 -172.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 40' ' ' VAL . 34.7 m -95.6 11.98 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.664 -174.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 46.9 tp -59.02 -29.38 67.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.515 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -75.55 -10.45 59.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 111.098 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.37 4.88 41.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.115 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' A' ' 69' ' ' GLU . 33.1 m -140.39 179.98 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -90.35 -39.77 12.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.013 0.435 . . . . 0.0 110.302 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.434 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . 56.2 t30 -153.17 154.28 34.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.579 ' SD ' ' HA ' ' A' ' 41' ' ' VAL . 16.1 ttt -162.74 127.37 3.11 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -157.84 136.93 11.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.284 -176.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.493 HG12 HG12 ' A' ' 66' ' ' ILE . 17.8 m -60.47 136.24 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.438 ' CB ' HD12 ' A' ' 57' ' ' LEU . 16.1 m -52.32 -49.05 64.99 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -170.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.6 tttt 68.26 6.44 5.3 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.818 0.818 . . . . 0.0 109.869 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.4 m -127.6 23.62 6.27 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 65' ' ' TYR . 14.9 mt -151.58 123.0 7.83 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 113.438 -1.71 . . . . 0.0 108.906 -171.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.63 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -63.42 112.54 2.79 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.495 -170.541 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 4.1 p -104.14 95.03 5.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.466 170.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.51 -76.34 0.17 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.924 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -140.37 -64.09 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.596 -176.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.31 19.5 19.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.967 0.413 . . . . 0.0 111.238 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 59' ' ' CYS . 7.9 p -141.27 129.21 22.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.096 176.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.28 125.24 14.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.578 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.548 ' HB3' HD13 ' A' ' 57' ' ' LEU . 97.3 m-85 -95.15 126.1 40.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.713 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.493 HG12 HG12 ' A' ' 53' ' ' VAL . 50.7 mt -124.96 144.3 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.72 -176.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -106.24 124.46 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 75' ' ' ARG . 11.3 p -121.49 147.21 25.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 -176.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.524 ' O ' ' HB ' ' A' ' 48' ' ' VAL . 43.7 tt0 -134.44 104.51 6.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.454 ' HB ' ' OG ' ' A' ' 115' ' ' SER . 72.6 p -65.77 175.18 2.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.645 -175.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 117' ' ' ALA . 50.2 mtpt -67.79 -19.82 65.13 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.986 0.422 . . . . 0.0 110.608 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -80.47 2.87 23.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.985 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 69.79 21.08 6.57 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.587 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.47 130.21 35.85 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.623 176.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 91.1 mtm180 -100.96 132.91 46.14 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.044 0.449 . . . . 0.0 110.795 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 90' ' ' TYR . 72.6 m-85 -129.25 152.15 49.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.239 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 7.9 t -111.54 122.24 47.3 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.466 HD13 HD23 ' A' ' 85' ' ' LEU . 88.2 mt -111.06 127.72 55.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.285 0.564 . . . . 0.0 111.688 -173.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -95.31 95.0 8.19 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.736 173.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.572 HD13 ' HG ' ' A' ' 85' ' ' LEU . 50.7 tp -82.47 115.16 21.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.716 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.9 p -135.16 -166.97 1.92 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.864 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.51 -19.69 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.977 0.418 . . . . 0.0 110.553 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.4 3.18 55.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.775 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.43 -143.25 16.42 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.327 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.572 ' HG ' HD13 ' A' ' 80' ' ' LEU . 5.5 mp -101.86 116.17 32.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.046 0.451 . . . . 0.0 110.271 -177.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.49 ' HD2' ' CE2' ' A' ' 103' ' ' TYR . 34.2 tttt -116.09 136.47 52.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.73 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.56 ' HB ' HG21 ' A' ' 101' ' ' THR . 59.9 t -85.97 110.53 19.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.806 0.336 . . . . 0.0 110.248 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.568 HG21 HG22 ' A' ' 95' ' ' VAL . 3.6 m -91.63 -5.1 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.514 ' HA2' HD22 ' A' ' 99' ' ' LEU . . . 169.47 164.64 25.52 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.47 178.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 8.3 p90 -118.57 75.82 1.05 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.967 0.889 . . . . 0.0 110.298 176.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.88 -179.32 3.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.884 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -88.5 107.38 18.85 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 64.55 78.74 0.27 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.445 -174.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -146.57 108.59 4.39 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.568 HG22 HG21 ' A' ' 88' ' ' VAL . 77.9 t -124.31 121.35 61.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.972 0.415 . . . . 0.0 112.041 -173.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 6.5 t70 -146.66 142.79 28.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.957 170.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -89.82 -1.14 57.92 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.404 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -99.02 0.57 44.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' HA2' ' A' ' 89' ' ' GLY . 8.5 mp -74.98 121.84 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.474 -0.49 . . . . 0.0 109.775 171.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -85.56 75.09 10.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.163 0.506 . . . . 0.0 111.171 -174.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.56 HG21 ' HB ' ' A' ' 87' ' ' VAL . 40.9 p -111.08 134.18 21.11 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.967 176.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.83 125.37 15.25 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.674 2.249 . . . . 0.0 112.686 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.49 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 85.2 m-85 -61.72 122.88 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.745 174.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -109.55 140.65 43.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.955 0.407 . . . . 0.0 110.284 175.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -76.64 -27.96 55.87 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.76 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 46.0 p -131.46 150.07 52.29 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.758 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.26 -22.5 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.424 178.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.477 ' HA ' ' OH ' ' A' ' 118' ' ' TYR . 25.8 m-85 -56.7 -63.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 -178.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.487 ' O ' HG23 ' A' ' 113' ' ' THR . 7.6 m -70.11 -19.66 63.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.428 -176.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 85' ' ' LEU . 28.5 tp -80.57 -54.79 5.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.517 HD23 ' CD1' ' A' ' 118' ' ' TYR . 14.6 tp -63.87 -25.06 67.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.087 0.47 . . . . 0.0 109.874 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.96 -35.5 80.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.318 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 109' ' ' SER . 58.1 p -74.18 -8.25 55.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.217 0.532 . . . . 0.0 110.877 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.2 mt -112.28 -44.23 3.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.874 -175.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.454 ' OG ' ' HB ' ' A' ' 70' ' ' THR . 56.2 m -119.01 122.74 29.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.636 -178.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.35 -18.33 26.5 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.482 2.121 . . . . 0.0 110.942 172.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.444 ' CB ' ' HD3' ' A' ' 71' ' ' LYS . . . -73.19 -10.14 59.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.061 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.517 ' CD1' HD23 ' A' ' 111' ' ' LEU . 74.8 t80 -64.4 -51.28 64.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.283 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -72.74 -19.85 61.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.128 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.44 ' CD ' ' HA ' ' A' ' 117' ' ' ALA . 89.5 mt-10 -68.17 -54.87 14.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.1 90.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.887 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -64.55 -40.8 96.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.977 176.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.4 -38.82 96.37 Favored Glycine 0 C--O 1.22 -0.74 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.816 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.401 ' HA ' HD22 ' A' ' 124' ' ' ASN . 10.5 m120 -60.03 -34.3 73.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.546 0.212 . . . . 0.0 111.404 179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.35 -43.72 66.42 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.842 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.0 mp -68.23 -32.66 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.566 0.698 . . . . 0.0 109.642 175.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.462 HD13 ' C ' ' A' ' 127' ' ' LEU . 2.6 tm? -59.67 -54.17 49.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.0 174.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.461 ' HA ' ' HB3' ' A' ' 131' ' ' GLU . 25.4 mt-30 -68.73 -25.41 64.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.719 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -63.03 -45.84 90.38 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 174.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.9 tt -70.81 -32.54 69.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.944 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.776 ' HG3' ' HD2' ' A' ' 134' ' ' LYS . 11.9 tt0 -67.2 -16.12 64.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.99 -179.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.48 -18.14 61.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.32 175.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 89.5 mt -94.17 -22.19 18.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.776 ' HD2' ' HG3' ' A' ' 131' ' ' GLU . 97.9 mttt -60.92 -54.1 49.2 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.328 0.585 . . . . 0.0 110.96 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.745 ' HG3' ' HB2' ' A' ' 139' ' ' SER . 3.5 ttp180 -90.08 15.99 9.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.396 -166.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -77.97 98.65 5.75 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.18 -70.2 0.21 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.199 -1.161 . . . . 0.0 110.199 -171.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -157.48 151.5 24.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 172.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.745 ' HB2' ' HG3' ' A' ' 135' ' ' ARG . 16.3 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.494 -0.765 . . . . 0.0 109.75 177.158 . . . . . . . . 1 1 . 1 stop_ save_