data_4bd3_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 4bd3 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 121.119 0.485 . . . . 2.13 111.011 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.6 m -132.55 154.4 50.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.218 -0.901 . . . . 1.14 109.467 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -70.64 139.98 51.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.919 0.39 . . . . 1.1 111.038 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.5 -7.95 77.35 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.013 -0.613 . . . . 0.46 112.71 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -76.59 136.24 39.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.82 0.343 . . . . 1.23 110.855 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 96.8 m-85 -85.27 125.28 32.77 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.342 -0.984 . . . . 1.69 108.342 170.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 m -133.76 161.18 41.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.31 0.576 . . . . 1.02 111.581 -173.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 55' ' ' TYR . 84.0 mt -104.28 110.56 22.83 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.127 -0.942 . . . . 1.2 108.718 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 62.7 m -92.64 122.95 35.56 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.933 -0.576 . . . . 1.47 109.827 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.48 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . 32.1 ttt180 -85.16 110.02 18.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.733 -0.667 . . . . 3.36 110.329 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -80.74 178.42 8.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.517 -0.765 . . . . 1.1 110.274 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -70.9 -0.75 9.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.21 0.529 . . . . 2.32 111.741 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -85.46 -12.46 51.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.541 . . . . 1.91 110.355 174.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.65 -2.23 85.97 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.401 -0.68 . . . . 0.64 111.401 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.5 mt -96.5 160.33 14.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.345 -0.428 . . . . 1.23 110.295 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.531 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . 84.4 m-85 -105.35 139.69 39.6 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.107 -0.497 . . . . 0.93 110.434 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.02 142.78 49.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.53 -0.759 . . . . 0.94 110.055 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.3 tp -84.67 133.65 34.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.784 0.326 . . . . 1.5 110.83 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.25 169.14 36.04 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.023 -0.608 . . . . 0.22 112.172 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 42.7 tttm -114.47 126.84 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.645 0.26 . . . . 1.52 110.792 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.1 mt -68.76 116.51 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 1.11 110.263 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -95.01 -42.05 8.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.045 0.45 . . . . 1.69 110.318 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -137.24 137.0 38.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.817 -0.629 . . . . 3.86 110.12 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.443 HG21 ' SG ' ' A' ' 70' ' ' CYS . 9.2 p -117.92 138.86 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 110.091 -0.337 . . . . 1.59 110.091 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -134.9 114.67 12.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.09 0.472 . . . . 1.81 110.959 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.585 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 6.1 p -69.22 -44.45 72.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.613 -0.721 . . . . 1.64 112.316 -175.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.4 m -65.2 -39.1 92.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.8 0.333 . . . . 1.66 111.202 -177.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -76.41 -22.12 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.361 -0.381 . . . . 2.76 111.218 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 63.27 29.77 15.81 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.382 0.61 . . . . 2.05 110.396 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.457 ' HG ' HD21 ' A' ' 83' ' ' LEU . 41.3 m -139.62 157.51 45.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.716 -0.674 . . . . 1.89 110.114 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.443 ' SG ' HG21 ' A' ' 63' ' ' VAL . 73.2 m -121.44 141.02 51.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.242 -0.435 . . . . 1.8 110.245 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.615 HD12 ' HB3' ' A' ' 79' ' ' LYS . 53.5 tp -82.36 108.15 15.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.746 -0.835 . . . . 1.53 108.746 174.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 54.5 t -110.87 137.75 41.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.826 -0.625 . . . . 1.06 110.643 -174.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 78' ' ' SER . 76.5 m -102.43 109.43 21.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.824 -0.436 . . . . 1.08 109.824 174.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.518 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 99.4 m-85 -74.73 179.71 4.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.5 . . . . 0.35 111.249 -176.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.43 -30.4 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.843 -0.617 . . . . 2.31 111.499 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -90.1 17.44 6.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.024 0.44 . . . . 1.84 110.538 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 69.24 13.74 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.448 -0.796 . . . . 2.59 111.931 172.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 73' ' ' THR . 62.4 p -83.24 140.66 32.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.282 -0.266 . . . . 1.36 110.282 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.615 ' HB3' HD12 ' A' ' 71' ' ' LEU . 38.6 mtmm -107.31 130.47 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.995 0.426 . . . . 2.25 110.475 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.518 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 64.5 m-85 -141.42 154.23 45.48 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.878 -0.601 . . . . 1.03 110.476 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -95.69 108.33 20.62 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.492 -0.559 . . . . 0.36 109.492 173.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.3 t -105.46 136.77 38.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.897 -0.592 . . . . 1.26 109.888 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.457 HD21 ' HG ' ' A' ' 69' ' ' SER . 52.1 mt -61.86 144.18 55.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.452 -0.34 . . . . 1.69 110.77 177.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.585 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 53.5 m0 -57.33 -31.26 65.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.56 111.081 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -69.62 -16.04 63.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.02 -0.536 . . . . 3.29 111.352 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -107.46 0.53 22.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.89 0.376 . . . . 0.48 111.011 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 83' ' ' LEU . 70.2 mt -105.34 118.43 52.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.196 0.522 . . . . 1.11 110.911 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -112.14 148.53 33.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.673 -0.694 . . . . 2.71 109.512 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -73.15 146.42 45.67 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.112 -0.329 . . . . 1.85 110.112 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 120.802 0.334 . . . . 1.21 110.262 177.191 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.557 HD13 HD12 ' A' ' 60' ' ' ILE . 3.0 mm? . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.141 0.495 . . . . 2.13 111.157 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.465 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 54.3 m -139.83 142.06 36.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.659 -0.7 . . . . 1.14 109.441 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.554 ' HA ' HG23 ' A' ' 60' ' ' ILE . 72.5 mt-10 -71.93 142.71 49.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.979 0.419 . . . . 1.1 111.256 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.472 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 89.38 17.44 55.26 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.587 -0.733 . . . . 0.46 112.378 -177.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.465 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 12.4 mt-30 -118.63 155.97 30.04 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.305 -0.257 . . . . 1.23 110.305 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -96.83 131.3 43.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.264 0.554 . . . . 1.69 110.746 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.545 ' HB ' ' O ' ' A' ' 88' ' ' GLN . 24.5 m -134.4 155.34 38.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.499 -0.773 . . . . 1.02 110.889 -176.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.3 mt -98.38 110.69 23.24 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.572 -0.899 . . . . 1.2 108.572 170.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.684 ' HB3' ' HE1' ' A' ' 74' ' ' PHE . 53.7 t -96.21 121.38 37.92 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.737 -0.665 . . . . 1.47 110.097 -175.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -84.18 137.37 33.55 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.827 -0.624 . . . . 3.36 109.936 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.612 ' HB2' ' HE2' ' A' ' 56' ' ' TYR . 7.9 t-105 -100.22 168.52 9.75 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.836 -0.62 . . . . 1.1 109.507 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 p -66.93 -9.46 38.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 2.32 111.423 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.4 3.76 51.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 1.91 111.205 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.92 25.22 64.98 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.938 -0.648 . . . . 0.64 112.925 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -122.0 156.21 33.95 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.847 -0.427 . . . . 1.23 109.847 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.72 148.66 28.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.783 0.325 . . . . 0.93 110.759 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.612 ' HE2' ' HB2' ' A' ' 50' ' ' TRP . 66.0 m-85 -137.43 131.78 32.45 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.989 -0.551 . . . . 0.94 110.193 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 tp -78.15 136.0 37.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.93 0.395 . . . . 1.5 110.843 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.2 164.75 34.54 Favored Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 120.955 -0.641 . . . . 0.22 112.098 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 77.4 tttt -103.61 126.45 50.76 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.411 -0.218 . . . . 1.52 110.411 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.678 HG21 ' SG ' ' A' ' 70' ' ' CYS . 73.8 mt -60.19 111.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.922 0.391 . . . . 1.11 110.115 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -88.83 -45.66 9.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.816 -0.629 . . . . 1.69 110.015 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.407 ' HA ' ' CD ' ' A' ' 42' ' ' GLU . 67.5 ttt180 -149.75 126.77 11.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.535 -0.757 . . . . 3.86 110.016 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.493 HG13 ' HG3' ' A' ' 42' ' ' GLU . 11.0 p -110.67 133.01 57.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.128 0.49 . . . . 1.59 110.534 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.8 p -112.05 105.15 13.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.093 -0.503 . . . . 1.81 110.545 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.658 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 11.0 p -71.8 -31.3 66.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.912 -0.585 . . . . 1.64 111.433 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.5 m -69.55 -33.52 72.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.231 0.539 . . . . 1.66 110.62 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -97.37 -4.77 37.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.719 -0.673 . . . . 2.76 111.195 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 54.9 31.35 15.66 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.029 -0.532 . . . . 2.05 111.49 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.521 ' HB3' HD21 ' A' ' 83' ' ' LEU . 1.4 p -138.07 163.34 31.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.958 -0.565 . . . . 1.89 110.214 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.678 ' SG ' HG21 ' A' ' 60' ' ' ILE . 44.1 t -133.73 141.83 47.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.106 0.479 . . . . 1.8 111.436 -176.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.7 tp -88.5 108.85 19.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.351 -0.841 . . . . 1.53 109.168 172.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 37.1 t -104.32 132.22 51.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.061 -0.518 . . . . 1.06 110.699 -175.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.2 m -96.79 96.12 8.35 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.334 -0.617 . . . . 1.08 109.334 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.684 ' HE1' ' HB3' ' A' ' 48' ' ' CYS . 92.8 m-85 -71.61 171.75 10.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.118 -0.492 . . . . 0.35 111.258 -173.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.32 -20.07 62.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.399 0.618 . . . . 2.31 109.929 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' A' ' 78' ' ' SER . 36.7 t70 -77.9 -1.53 32.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.29 -0.868 . . . . 1.84 110.602 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.8 t30 76.08 -31.62 0.2 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.77 0.828 . . . . 2.59 110.937 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 76' ' ' ASP . 19.6 m -59.12 133.86 56.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.069 -0.514 . . . . 1.36 110.577 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 47.5 mtpt -110.08 131.16 55.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.827 -0.624 . . . . 2.25 109.924 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -136.15 156.98 47.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.716 0.293 . . . . 1.03 110.786 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -97.61 121.69 39.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.871 -0.604 . . . . 0.36 109.917 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.549 HG22 ' SG ' ' A' ' 48' ' ' CYS . 21.4 t -129.15 144.4 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.472 -0.331 . . . . 1.26 110.35 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 69' ' ' SER . 96.3 mt -64.22 150.89 44.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.864 0.364 . . . . 1.69 110.799 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.658 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 53.8 m0 -64.61 -21.05 66.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.56 111.606 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -64.89 -13.91 58.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.41 -0.359 . . . . 3.29 111.724 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -117.74 -9.24 10.75 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.762 0.282 . . . . 0.48 111.762 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.517 HD12 ' HB ' ' A' ' 82' ' ' VAL . 77.1 mt -98.07 117.63 43.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.049 0.452 . . . . 1.11 111.158 -175.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.545 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 63.0 mt-30 -117.96 165.28 13.89 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.852 -0.613 . . . . 2.71 109.786 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -90.58 142.6 27.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.726 0.298 . . . . 1.85 111.494 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.389 . . . . 1.21 110.232 176.763 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.051 0.453 . . . . 2.13 110.551 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 m -131.84 147.02 52.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.678 -0.692 . . . . 1.14 109.769 -177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' OE2' ' HA ' ' A' ' 62' ' ' ARG . 27.6 mt-10 -73.59 152.64 40.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.812 0.339 . . . . 1.1 110.75 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 88.43 -8.84 77.73 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.46 112.194 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -86.76 144.08 27.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.845 0.355 . . . . 1.23 110.769 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -90.8 122.93 33.95 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.557 -0.905 . . . . 1.69 108.557 174.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 m -128.68 152.77 37.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.248 0.547 . . . . 1.02 111.556 -175.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' A' ' 90' ' ' ALA . 56.8 mt -87.51 111.11 20.85 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.212 -0.904 . . . . 1.2 108.893 175.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.509 ' SG ' HG12 ' A' ' 72' ' ' VAL . 57.0 m -100.76 118.1 36.18 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.262 -0.426 . . . . 1.47 110.231 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.616 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 70.4 ttt180 -73.92 105.25 5.1 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.512 0.672 . . . . 3.36 109.778 177.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -87.43 -179.01 6.29 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.138 -0.937 . . . . 1.1 110.623 -172.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.9 m -64.36 -16.33 62.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.982 -0.553 . . . . 2.32 112.291 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -76.1 -10.16 59.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 1.91 110.454 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.99 0.49 85.52 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.775 -0.726 . . . . 0.64 111.494 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.99 170.91 7.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.522 -0.339 . . . . 1.23 110.169 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -105.14 136.31 44.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.961 0.41 . . . . 0.93 110.137 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -128.19 133.22 48.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.781 -0.645 . . . . 0.94 110.444 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.8 tp -73.91 128.84 36.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.081 0.467 . . . . 1.5 111.027 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -147.26 164.55 28.67 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.448 -0.661 . . . . 0.22 111.448 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.453 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 82.7 tttt -105.25 125.68 51.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.951 0.375 . . . . 1.52 111.476 -178.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.441 HG21 ' HB3' ' A' ' 70' ' ' CYS . 65.8 mt -70.96 116.24 12.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 1.11 110.27 177.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -100.25 -25.66 14.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.575 0.226 . . . . 1.69 110.711 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.461 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 64.9 ttt180 -149.37 149.21 30.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.322 -0.399 . . . . 3.86 110.008 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.3 t -120.67 126.89 75.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.683 0.278 . . . . 1.59 110.657 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.5 t -108.23 101.84 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.242 -0.651 . . . . 1.81 109.242 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.412 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 15.5 m -74.65 -30.44 61.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.979 -0.555 . . . . 1.64 111.65 -174.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.2 p -72.09 -31.06 65.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.188 0.518 . . . . 1.66 111.073 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -96.48 -6.86 36.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.955 -0.566 . . . . 2.76 110.942 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 55.65 42.96 28.9 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.399 0.618 . . . . 2.05 110.237 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.523 ' HB2' HD21 ' A' ' 83' ' ' LEU . 23.2 t -144.14 146.74 32.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.547 -0.751 . . . . 1.89 109.94 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.441 ' HB3' HG21 ' A' ' 60' ' ' ILE . 70.8 m -116.46 145.47 43.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.895 0.379 . . . . 1.8 110.947 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 tp -79.73 107.98 12.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.286 -1.005 . . . . 1.53 108.286 171.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.509 HG12 ' SG ' ' A' ' 48' ' ' CYS . 61.5 t -112.91 131.15 65.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.993 -0.549 . . . . 1.06 110.793 -174.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' A' ' 79' ' ' LYS . 20.2 m -101.29 106.05 17.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.526 -0.546 . . . . 1.08 109.526 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.437 ' HE1' ' HB2' ' A' ' 48' ' ' CYS . 94.3 m-85 -71.59 176.12 5.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.56 . . . . 0.35 110.333 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -59.11 -20.2 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.232 0.539 . . . . 2.31 110.905 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.38 -1.12 28.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.536 -0.756 . . . . 1.84 110.497 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.3 m120 69.13 7.25 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.451 -0.795 . . . . 2.59 111.056 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.9 m -97.0 135.27 39.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.507 -0.769 . . . . 1.36 109.677 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HG2' ' OG1' ' A' ' 73' ' ' THR . 53.3 mttp -96.67 131.7 43.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.474 -0.33 . . . . 2.25 110.899 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.424 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 84.2 m-85 -139.85 159.16 42.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.96 -0.564 . . . . 1.03 109.806 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -97.29 112.37 24.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.112 0.482 . . . . 0.36 110.472 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 48' ' ' CYS . 18.8 t -105.32 139.09 27.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.63 . . . . 1.26 109.413 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 69' ' ' SER . 94.7 mt -72.74 147.35 45.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.706 -0.224 . . . . 1.69 110.425 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.412 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 46.7 m0 -57.16 -26.07 59.98 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.183 0.516 . . . . 0.56 110.403 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -67.47 -21.65 65.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.276 -0.875 . . . . 3.29 111.059 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 45.5 m-20 -112.32 1.92 16.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.48 110.75 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.3 mt -101.63 126.88 55.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.14 -0.482 . . . . 1.11 110.674 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -124.09 122.43 37.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.071 -0.513 . . . . 2.71 109.798 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -56.86 129.12 40.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.52 -0.309 . . . . 1.85 110.748 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.516 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.232 -0.44 . . . . 1.21 110.476 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.456 HD11 ' HG ' ' A' ' 70' ' ' CYS . 74.8 mt . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 121.037 0.446 . . . . 2.13 110.45 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -141.48 156.61 45.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.734 -0.666 . . . . 1.14 109.746 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -66.85 119.72 12.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.789 0.328 . . . . 1.1 110.86 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.59 4.01 34.71 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.896 -0.669 . . . . 0.46 112.78 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -97.34 148.32 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.774 0.287 . . . . 1.23 110.81 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -93.05 131.12 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.024 -0.535 . . . . 1.69 109.574 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.7 m -136.61 158.81 37.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.151 0.5 . . . . 1.02 111.491 -175.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.3 mt -97.59 111.23 23.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.402 -0.817 . . . . 1.2 109.058 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.535 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 58.8 m -98.84 124.58 43.84 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.049 -0.523 . . . . 1.47 110.43 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.591 ' NH1' ' HA ' ' A' ' 86' ' ' ASP . 33.3 ttm180 -85.74 118.68 25.39 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.622 -0.717 . . . . 3.36 110.113 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -93.52 175.71 6.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.887 -0.597 . . . . 1.1 109.933 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 m -56.51 -22.78 35.18 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.879 0.472 . . . . 2.32 112.241 -175.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.13 -6.21 50.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.219 -0.446 . . . . 1.91 111.654 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.44 12.58 80.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.64 111.539 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -108.53 156.14 19.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.497 -0.352 . . . . 1.23 110.454 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -105.07 133.27 50.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.19 -0.459 . . . . 0.93 110.527 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -119.64 152.74 36.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.552 -0.749 . . . . 0.94 110.157 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.0 tp -92.5 126.61 37.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.888 0.375 . . . . 1.5 110.885 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.563 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -153.16 163.62 30.64 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.654 -0.784 . . . . 0.22 112.483 179.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -111.3 127.09 55.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.76 0.314 . . . . 1.52 110.854 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.68 114.6 4.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.069 -0.514 . . . . 1.11 110.593 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HB3' HD13 ' A' ' 71' ' ' LEU . 3.5 tppp? -94.26 -42.32 8.99 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.885 -0.413 . . . . 1.69 109.885 178.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.458 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 93.8 mtt180 -127.51 152.86 47.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.159 -0.473 . . . . 3.86 109.957 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.2 p -130.26 134.22 62.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.254 0.55 . . . . 1.59 110.732 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.3 t -121.37 105.58 10.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.757 -0.656 . . . . 1.81 109.801 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.4 p -80.12 -32.54 39.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.34 -0.391 . . . . 1.64 110.989 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.4 m -67.13 -41.73 85.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.999 0.428 . . . . 1.66 110.848 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -94.46 -4.15 48.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 2.76 110.556 -179.487 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 53.0 61.45 3.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.682 -0.69 . . . . 2.05 110.561 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.3 p -151.15 160.73 43.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.146 -0.934 . . . . 1.89 109.731 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.456 ' HG ' HD11 ' A' ' 40' ' ' LEU . 71.4 m -136.03 139.83 43.4 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.659 0.266 . . . . 1.8 110.611 177.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' ' 61' ' ' LYS . 3.4 tm? -80.63 107.82 13.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.693 -1.225 . . . . 1.53 107.693 173.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.471 HG22 ' SG ' ' A' ' 48' ' ' CYS . 62.4 t -105.01 129.94 56.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.936 -0.575 . . . . 1.06 110.316 -176.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.8 m -106.38 101.49 10.96 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.699 -0.852 . . . . 1.08 108.699 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.563 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 95.4 m-85 -69.47 173.75 5.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.404 -0.816 . . . . 0.35 111.883 -171.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.23 -16.16 63.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.492 0.663 . . . . 2.31 110.3 174.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.95 -3.67 54.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.251 -0.886 . . . . 1.84 110.327 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 74.01 -3.2 2.58 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.276 -0.874 . . . . 2.59 110.871 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 p -73.1 139.5 46.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.954 0.407 . . . . 1.36 110.274 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HE3' HD12 ' A' ' 71' ' ' LEU . 25.4 mtpp -111.47 130.36 55.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.081 -0.509 . . . . 2.25 109.876 -178.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -146.84 145.68 29.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.625 -0.261 . . . . 1.03 110.862 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -87.11 108.1 18.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.195 -0.668 . . . . 0.36 109.195 172.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.417 ' HB ' HD12 ' A' ' 87' ' ' ILE . 19.0 t -104.68 142.93 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.366 -0.605 . . . . 1.26 109.366 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 65.5 mt -79.53 152.12 30.34 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.046 -0.353 . . . . 1.69 110.046 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 48.4 m0 -60.84 -26.88 67.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 0.56 110.903 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -68.13 -7.34 29.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 3.29 111.977 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.591 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 16.3 m-20 -128.82 9.76 5.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.652 0.263 . . . . 0.48 111.302 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.417 HD12 ' HB ' ' A' ' 82' ' ' VAL . 70.3 mt -111.21 120.9 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.903 0.383 . . . . 1.11 111.116 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -110.73 165.7 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.654 -0.703 . . . . 2.71 109.469 176.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -85.67 143.95 28.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.684 0.278 . . . . 1.85 110.928 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.404 . . . . 1.21 110.505 178.409 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.4 mm? . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.795 -0.446 . . . . 2.13 109.795 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.0 m -148.5 149.48 31.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.827 -0.434 . . . . 1.14 109.827 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -65.15 144.93 56.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.895 0.379 . . . . 1.1 110.802 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.462 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 88.04 10.86 68.41 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.837 -0.697 . . . . 0.46 112.71 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -111.45 145.91 38.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.763 -0.257 . . . . 1.23 110.677 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -87.56 134.83 33.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.888 0.375 . . . . 1.69 110.28 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.402 HG21 ' SG ' ' A' ' 48' ' ' CYS . 13.0 m -142.24 153.16 18.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.019 -0.537 . . . . 1.02 111.231 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 55' ' ' TYR . 78.8 mt -91.99 110.88 22.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.421 -0.955 . . . . 1.2 108.421 172.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.582 ' SG ' HG22 ' A' ' 72' ' ' VAL . 57.5 m -100.83 118.61 37.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.894 0.378 . . . . 1.47 110.643 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.628 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 69.6 ttt-85 -79.77 129.36 34.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.629 -0.714 . . . . 3.36 110.526 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -96.95 174.76 6.62 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.289 -0.634 . . . . 1.1 109.289 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -58.92 -21.23 57.56 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.07 0.462 . . . . 2.32 111.696 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.15 -10.04 59.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.342 -0.39 . . . . 1.91 110.943 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.35 -1.96 80.27 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.039 -0.6 . . . . 0.64 112.291 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 93.9 mt -88.93 151.81 22.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.408 -0.219 . . . . 1.23 110.408 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.47 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . 54.9 m-85 -104.85 137.97 41.82 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.052 -0.722 . . . . 0.93 109.052 176.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -125.26 138.9 54.1 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.636 0.255 . . . . 0.94 110.523 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.44 131.28 40.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.044 -0.526 . . . . 1.5 110.562 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.97 170.56 36.12 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.755 -0.657 . . . . 0.22 111.719 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 74.9 tttt -115.85 125.16 52.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.581 0.229 . . . . 1.52 110.693 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.24 114.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 1.11 110.359 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -96.18 -34.97 11.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.814 -0.63 . . . . 1.69 109.858 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.459 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 97.9 mtt180 -142.01 152.05 43.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.032 -0.531 . . . . 3.86 109.899 176.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 p -126.47 125.53 67.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.849 0.357 . . . . 1.59 110.152 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -113.96 104.42 12.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.041 0.448 . . . . 1.81 110.251 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.6 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 13.1 p -69.55 -40.92 76.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.979 -0.555 . . . . 1.64 111.393 -178.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.0 m -69.44 -21.21 63.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.75 0.31 . . . . 1.66 111.654 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -106.76 -1.45 22.6 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.092 -0.243 . . . . 2.76 111.054 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 53.3 36.75 23.59 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.544 0.528 . . . . 2.05 111.501 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.657 ' HB3' HD21 ' A' ' 83' ' ' LEU . 1.5 p -147.93 161.21 41.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.947 -0.569 . . . . 1.89 110.718 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.7 m -125.91 147.87 49.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.285 -0.416 . . . . 1.8 110.633 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.459 ' HB3' ' HB2' ' A' ' 62' ' ' ARG . 61.3 tp -88.37 108.08 19.16 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.434 -0.95 . . . . 1.53 108.434 174.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.582 HG22 ' SG ' ' A' ' 48' ' ' CYS . 48.4 t -106.6 129.88 59.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.112 -0.494 . . . . 1.06 111.206 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.6 m -93.43 102.21 14.43 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.115 -0.698 . . . . 1.08 109.115 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.611 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 97.4 m-85 -77.54 178.03 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.118 0.485 . . . . 0.35 111.566 -174.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.83 -16.32 64.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.579 -0.737 . . . . 2.31 110.427 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.461 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 34.4 t70 -79.48 -4.37 50.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.374 -0.83 . . . . 1.84 109.822 175.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.461 ' HB3' ' O ' ' A' ' 76' ' ' ASP . 24.1 t-20 77.76 -31.28 0.16 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.129 0.972 . . . . 2.59 111.632 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -61.94 137.11 58.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.794 0.331 . . . . 1.36 110.63 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 47.7 mtmt -99.37 131.78 45.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.12 -0.491 . . . . 2.25 110.275 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.611 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 99.3 m-85 -130.87 145.14 51.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.415 -0.357 . . . . 1.03 110.395 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -84.85 109.14 17.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.199 -0.455 . . . . 0.36 110.074 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.51 HG22 ' HB3' ' A' ' 48' ' ' CYS . 22.6 t -108.87 140.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.052 -0.522 . . . . 1.26 109.795 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 69' ' ' SER . 95.9 mt -70.9 149.53 46.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.558 0.218 . . . . 1.69 110.593 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.6 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 54.2 m0 -58.28 -28.39 64.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.56 111.248 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -68.64 -21.24 64.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.043 -0.526 . . . . 3.29 111.26 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.628 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 30.1 m-20 -105.2 -7.63 18.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.383 -0.371 . . . . 0.48 110.848 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 66.4 mt -95.42 115.9 35.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.29 0.567 . . . . 1.11 110.976 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -112.38 151.0 30.31 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.105 -0.702 . . . . 2.71 109.105 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -66.58 134.85 53.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.653 0.263 . . . . 1.85 110.588 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 109.538 -0.542 . . . . 1.21 109.538 175.195 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.265 0.555 . . . . 2.13 111.191 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.489 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 16.4 m -148.64 147.41 28.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 1.14 109.662 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.499 ' OE2' ' HA ' ' A' ' 62' ' ' ARG . 29.0 mt-10 -73.3 151.91 41.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.737 0.303 . . . . 1.1 110.757 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.52 ' HA2' ' HE2' ' A' ' 59' ' ' LYS . . . 79.39 13.57 82.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.124 -0.56 . . . . 0.46 111.986 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.489 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 22.9 mt-30 -110.43 156.57 20.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.735 0.302 . . . . 1.23 110.39 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.461 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 81.5 m-85 -99.42 129.76 45.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.915 -0.584 . . . . 1.69 109.611 178.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.465 HG21 ' HG ' ' A' ' 48' ' ' CYS . 17.4 m -135.77 153.85 33.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.971 -0.559 . . . . 1.02 111.56 -173.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.9 mt -92.97 110.73 22.2 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.508 -0.923 . . . . 1.2 108.508 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.495 ' SG ' HG22 ' A' ' 72' ' ' VAL . 60.9 m -103.55 121.93 43.9 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.176 -0.466 . . . . 1.47 110.454 -175.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.548 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 25.0 ttt180 -82.05 115.97 21.43 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.943 -0.571 . . . . 3.36 110.303 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -77.76 159.99 28.69 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.021 -0.733 . . . . 1.1 109.021 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 m -68.33 -0.03 4.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.196 0.522 . . . . 2.32 111.502 -175.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -83.88 -15.71 47.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.159 0.504 . . . . 1.91 110.215 175.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.82 2.76 55.16 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.884 -0.674 . . . . 0.64 112.528 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.2 mt -106.12 159.82 15.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.198 -0.297 . . . . 1.23 110.198 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 46.1 m-85 -106.37 144.01 33.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.879 0.371 . . . . 0.93 110.47 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -130.21 155.48 46.19 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.826 -0.625 . . . . 0.94 109.869 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.9 tp -96.24 136.36 36.82 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.119 -0.326 . . . . 1.5 110.119 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.88 169.59 35.2 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.662 -0.78 . . . . 0.22 112.144 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.52 ' HE2' ' HA2' ' A' ' 43' ' ' GLY . 45.3 tttm -116.61 124.9 50.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.648 0.261 . . . . 1.52 110.341 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.16 113.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 1.11 110.55 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -87.34 -40.11 14.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.92 -0.582 . . . . 1.69 109.944 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.499 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 66.8 ttt180 -146.31 133.99 21.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.874 -0.603 . . . . 3.86 110.674 -177.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.489 HG21 ' SG ' ' A' ' 70' ' ' CYS . 10.8 p -105.41 141.73 20.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.436 -0.347 . . . . 1.59 110.513 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.9 m -137.19 105.28 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.104 0.478 . . . . 1.81 110.623 176.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.462 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 14.0 p -71.72 -37.39 70.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.704 -0.68 . . . . 1.64 112.304 -175.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.1 m -65.71 -23.81 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.881 0.326 . . . . 1.66 111.881 -173.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -108.31 -1.59 19.94 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.103 -0.239 . . . . 2.76 110.661 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 51.06 47.14 25.4 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.985 -0.552 . . . . 2.05 111.03 -176.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -143.63 150.43 38.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.707 -0.679 . . . . 1.89 109.845 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.489 ' SG ' HG21 ' A' ' 63' ' ' VAL . 73.2 m -127.94 140.13 52.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.948 0.404 . . . . 1.8 110.77 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' A' ' 79' ' ' LYS . 57.4 tp -80.03 108.63 13.77 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.821 -0.807 . . . . 1.53 108.821 174.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.495 HG22 ' SG ' ' A' ' 48' ' ' CYS . 53.9 t -105.4 134.95 45.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.243 -0.435 . . . . 1.06 110.998 -175.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.1 m -96.72 105.71 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.145 -0.687 . . . . 1.08 109.145 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.702 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 98.2 m-85 -78.23 177.83 8.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.034 0.445 . . . . 0.35 111.627 -174.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -57.25 -28.64 63.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.485 -0.779 . . . . 2.31 111.882 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -91.55 23.07 3.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.707 0.289 . . . . 1.84 110.516 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.4 p30 53.84 21.78 2.94 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.755 1.222 . . . . 2.59 112.685 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 m -99.42 139.5 34.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.1 -0.333 . . . . 1.36 110.1 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.743 ' HB3' HD12 ' A' ' 71' ' ' LEU . 98.0 mttt -100.66 131.7 46.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.086 -0.506 . . . . 2.25 110.84 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.702 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 49.3 m-85 -142.21 144.96 33.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.21 -0.45 . . . . 1.03 110.504 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -85.71 109.44 18.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.019 -0.537 . . . . 0.36 110.468 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.522 ' HB ' HD12 ' A' ' 87' ' ' ILE . 21.5 t -107.38 144.18 16.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.031 -0.729 . . . . 1.26 109.031 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.548 HD23 ' HE2' ' A' ' 85' ' ' LYS . 8.0 mp -79.98 153.92 28.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.816 0.341 . . . . 1.69 110.748 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 47.3 m0 -59.26 -27.15 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 0.56 111.843 -176.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.548 ' HE2' HD23 ' A' ' 83' ' ' LEU . 62.7 pttt -63.01 -25.32 68.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 3.29 111.578 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.548 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 59.4 m-20 -106.49 -6.85 17.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.704 0.288 . . . . 0.48 111.193 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.522 HD12 ' HB ' ' A' ' 82' ' ' VAL . 67.9 mt -101.46 122.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.203 0.525 . . . . 1.11 111.499 -176.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.41 ' NE2' ' HE2' ' A' ' 55' ' ' TYR . 1.9 mp0 -120.9 165.61 14.96 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.525 -0.917 . . . . 2.71 108.525 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -79.11 149.93 31.92 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.147 -0.316 . . . . 1.85 110.147 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 120.759 0.314 . . . . 1.21 110.622 178.567 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.799 -0.445 . . . . 2.13 109.799 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.8 m -136.49 148.76 47.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.816 0.341 . . . . 1.14 110.409 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.28 125.51 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.247 -0.433 . . . . 1.1 110.811 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.42 0.16 50.18 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.878 -0.677 . . . . 0.46 112.51 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.25 140.75 32.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.891 0.377 . . . . 1.23 111.106 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -88.92 122.76 32.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.967 -0.56 . . . . 1.69 109.532 173.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.548 HG21 ' HG ' ' A' ' 48' ' ' CYS . 29.4 m -130.75 153.43 39.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.931 -0.577 . . . . 1.02 110.89 -175.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.2 mt -86.55 110.22 19.65 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.176 -1.046 . . . . 1.2 108.176 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.681 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 59.2 m -95.26 117.53 30.43 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.201 0.524 . . . . 1.47 109.788 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.595 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 70.0 ttt-85 -88.24 125.28 34.57 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.353 -0.839 . . . . 3.36 109.81 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -85.16 164.85 17.88 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.982 -0.748 . . . . 1.1 108.982 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 m -63.5 -11.18 21.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.895 0.379 . . . . 2.32 111.58 -176.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.52 -15.91 56.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.092 0.472 . . . . 1.91 110.559 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.23 9.64 47.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.831 -0.7 . . . . 0.64 112.713 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.2 mt -107.24 152.64 23.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.779 -0.248 . . . . 1.23 110.586 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 36.8 m-85 -106.82 142.16 36.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.949 0.404 . . . . 0.93 110.907 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -128.32 140.94 51.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.71 -0.677 . . . . 0.94 109.234 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.6 tp -81.31 130.65 35.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.829 0.347 . . . . 1.5 110.501 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -151.48 170.81 31.05 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.854 -0.688 . . . . 0.22 112.474 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -118.08 123.92 46.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.719 0.295 . . . . 1.52 110.909 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.447 HD12 HG12 ' A' ' 46' ' ' VAL . 67.5 mt -66.38 124.26 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 1.11 110.694 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -101.28 -53.06 3.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.335 -0.393 . . . . 1.69 110.443 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -126.68 126.93 44.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.09 -0.504 . . . . 3.86 110.191 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.426 HG21 ' SG ' ' A' ' 70' ' ' CYS . 7.1 p -109.91 133.95 53.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.836 0.35 . . . . 1.59 110.392 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.0 p -121.4 103.4 8.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.081 0.467 . . . . 1.81 110.366 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.573 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 20.6 t -68.24 -36.39 79.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 1.64 110.879 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.6 m -71.39 -16.65 62.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.968 0.413 . . . . 1.66 111.29 -177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -113.12 -9.56 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.108 -0.496 . . . . 2.76 111.532 -174.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 56.6 43.46 25.55 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.184 0.516 . . . . 2.05 110.782 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t -148.41 156.99 43.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 1.89 110.159 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.426 ' SG ' HG21 ' A' ' 63' ' ' VAL . 77.9 m -135.9 137.69 41.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.314 -0.403 . . . . 1.8 110.814 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.401 ' HB2' ' CE2' ' A' ' 81' ' ' TRP . 60.3 tp -79.95 108.61 13.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.58 -0.896 . . . . 1.53 108.58 172.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.6 HG12 ' SG ' ' A' ' 48' ' ' CYS . 59.1 t -110.28 135.73 48.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.0 -0.546 . . . . 1.06 110.884 -174.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.8 m -101.4 107.3 18.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.37 -0.604 . . . . 1.08 109.37 174.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.681 ' HE1' ' HB2' ' A' ' 48' ' ' CYS . 91.8 m-85 -69.35 168.58 14.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.176 -0.466 . . . . 0.35 110.144 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.29 -14.96 55.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.355 0.598 . . . . 2.31 110.326 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.6 -1.18 29.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.436 -0.802 . . . . 1.84 110.492 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 73.84 1.98 4.08 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.366 0.666 . . . . 2.59 110.901 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 p -89.71 139.4 30.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.256 -0.429 . . . . 1.36 110.635 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -108.38 131.8 54.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 2.25 110.544 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -142.16 150.34 40.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.22 -0.445 . . . . 1.03 110.478 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.401 ' CE2' ' HB2' ' A' ' 71' ' ' LEU . 82.2 m95 -88.1 109.23 19.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.393 -0.367 . . . . 0.36 110.208 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.412 ' HB ' HD12 ' A' ' 87' ' ' ILE . 25.3 t -104.61 144.09 15.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.208 -0.664 . . . . 1.26 109.208 177.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.4 mp -81.0 154.41 26.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.078 -0.341 . . . . 1.69 110.078 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.573 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 50.1 m0 -61.93 -23.64 66.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 0.56 111.094 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -62.06 -21.37 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.756 -0.657 . . . . 3.29 111.644 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 45.7 m-20 -121.55 12.55 10.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.644 0.259 . . . . 0.48 111.073 -178.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.412 HD12 ' HB ' ' A' ' 82' ' ' VAL . 64.1 mt -112.32 120.59 62.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.861 0.363 . . . . 1.11 110.88 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.439 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 6.0 tp60 -129.74 138.36 51.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.057 -0.519 . . . . 2.71 109.924 178.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -63.64 142.93 58.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.709 0.29 . . . . 1.85 111.473 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.489 -0.323 . . . . 1.21 110.432 177.806 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 121.057 0.456 . . . . 2.13 110.777 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.41 ' HB ' ' NE2' ' A' ' 44' ' ' GLN . 62.7 m -112.98 146.42 39.08 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.614 -0.721 . . . . 1.14 110.036 177.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' HA ' HG23 ' A' ' 60' ' ' ILE . 20.0 mt-10 -66.83 152.56 45.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.094 -0.503 . . . . 1.1 111.583 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.476 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 80.31 18.87 70.49 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.879 -0.677 . . . . 0.46 112.978 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' NE2' ' HB ' ' A' ' 41' ' ' THR . 33.6 mt-30 -112.31 155.1 24.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.947 -0.39 . . . . 1.23 109.947 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -93.95 132.03 38.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.951 0.405 . . . . 1.69 110.167 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.7 m -136.12 156.0 36.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.909 -0.587 . . . . 1.02 110.911 -177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HB2' ' HB3' ' A' ' 88' ' ' GLN . 59.4 mt -99.3 110.96 23.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.765 -0.828 . . . . 1.2 108.765 176.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.662 ' HB3' HG22 ' A' ' 82' ' ' VAL . 57.3 m -96.19 118.19 32.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.095 -0.502 . . . . 1.47 111.028 -173.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.643 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 23.1 ttt180 -84.77 123.87 30.91 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.585 -0.734 . . . . 3.36 110.904 -179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.518 ' HB2' ' HE2' ' A' ' 56' ' ' TYR . 4.9 t-105 -81.42 172.68 13.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.453 -0.794 . . . . 1.1 109.179 176.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 t -64.68 -12.01 41.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.017 0.436 . . . . 2.32 110.956 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -82.91 -10.48 58.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 1.91 111.386 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.57 -1.91 69.67 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.636 -0.792 . . . . 0.64 112.583 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.488 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 95.9 mt -89.35 148.7 23.37 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.112 -0.329 . . . . 1.23 110.112 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.494 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 51.1 m-85 -105.0 154.83 19.59 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.645 -0.502 . . . . 0.93 109.645 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.518 ' HE2' ' HB2' ' A' ' 50' ' ' TRP . 89.3 m-85 -137.03 138.87 40.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.284 -0.265 . . . . 0.94 110.284 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -75.27 122.43 23.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.029 0.442 . . . . 1.5 110.927 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -150.41 170.93 30.33 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.801 -0.636 . . . . 0.22 112.086 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 80.8 tttt -114.5 130.38 56.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.693 0.283 . . . . 1.52 111.292 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.725 HG21 ' SG ' ' A' ' 70' ' ' CYS . 78.1 mt -60.83 111.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 1.11 110.424 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -98.62 -32.16 11.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.83 -0.623 . . . . 1.69 110.276 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -158.54 135.75 9.97 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.438 -0.579 . . . . 3.86 109.438 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.59 129.9 69.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.047 0.451 . . . . 1.59 110.808 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.4 t -109.55 108.6 19.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.516 . . . . 1.81 110.275 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.452 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 14.2 p -74.0 -32.39 63.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.342 -0.39 . . . . 1.64 110.657 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.8 m -66.58 -41.92 87.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 1.66 111.397 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -93.46 -5.9 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.093 -0.243 . . . . 2.76 111.641 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 58.52 37.19 25.56 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.226 0.536 . . . . 2.05 109.889 -176.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.509 ' HB2' HD21 ' A' ' 83' ' ' LEU . 32.8 t -136.45 167.52 21.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.616 -0.72 . . . . 1.89 110.058 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.725 ' SG ' HG21 ' A' ' 60' ' ' ILE . 53.5 t -140.73 135.51 31.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.963 0.411 . . . . 1.8 111.021 -178.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.8 tp -81.3 108.99 15.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.934 -0.765 . . . . 1.53 108.934 173.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 62.0 t -109.5 135.41 48.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.943 -0.571 . . . . 1.06 111.03 -174.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 m -101.2 106.16 17.35 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.674 -0.491 . . . . 1.08 109.674 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.429 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 85.3 m-85 -75.93 176.21 8.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.856 0.36 . . . . 0.35 111.331 -176.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.28 -25.57 67.19 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.104 -0.498 . . . . 2.31 110.814 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 77' ' ' ASN . 33.1 t70 -79.82 3.46 19.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.736 -0.666 . . . . 1.84 110.569 177.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 0.9 OUTLIER 72.22 -1.03 3.04 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.47 -0.786 . . . . 2.59 111.306 176.006 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.533 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . 0.8 OUTLIER -79.06 137.13 37.4 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.977 -0.556 . . . . 1.36 110.357 177.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 50.8 mtmt -110.21 130.81 55.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.14 -0.482 . . . . 2.25 110.313 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 78' ' ' SER . 97.5 m-85 -139.16 160.02 40.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.281 -0.418 . . . . 1.03 109.966 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -96.25 112.38 24.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.455 -0.339 . . . . 0.36 110.289 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.662 HG22 ' HB3' ' A' ' 48' ' ' CYS . 21.5 t -110.76 130.87 63.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.37 -0.377 . . . . 1.26 110.047 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.509 HD21 ' HB2' ' A' ' 69' ' ' SER . 96.6 mt -62.59 143.23 57.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.429 -0.35 . . . . 1.69 110.475 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.452 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 45.4 m0 -57.45 -24.83 57.98 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.208 0.528 . . . . 0.56 110.527 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -61.76 -29.11 69.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.401 -0.818 . . . . 3.29 111.135 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.643 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 46.1 m-20 -113.51 11.01 18.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.925 0.393 . . . . 0.48 111.032 -175.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 62.1 mt -98.81 120.49 48.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.006 0.431 . . . . 1.11 110.672 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.446 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 11.0 tp60 -105.8 163.16 12.93 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.388 -0.968 . . . . 2.71 108.388 176.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -88.24 134.44 33.79 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.692 -0.403 . . . . 1.85 109.957 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 1.21 110.324 179.869 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 84' ' ' TRP . 90.3 mt . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.969 0.414 . . . . 2.13 111.526 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.6 m -129.64 147.46 51.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.845 -0.616 . . . . 1.14 109.811 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -70.66 140.23 51.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.903 0.382 . . . . 1.1 110.696 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' HA2' ' HE2' ' A' ' 59' ' ' LYS . . . 99.28 -6.52 59.59 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.893 -0.67 . . . . 0.46 111.965 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -91.98 146.45 23.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.708 0.29 . . . . 1.23 110.728 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -89.06 126.07 35.28 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.62 -0.511 . . . . 1.69 109.62 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.423 ' HB ' HG21 ' A' ' 87' ' ' ILE . 23.4 m -134.04 153.84 36.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.328 0.585 . . . . 1.02 111.684 -175.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.9 mt -88.77 111.45 22.01 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.153 -0.93 . . . . 1.2 108.964 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.486 ' SG ' HG12 ' A' ' 72' ' ' VAL . 35.6 m -98.64 119.86 38.1 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.794 -0.639 . . . . 1.47 110.247 -176.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.495 ' NH1' ' HA ' ' A' ' 86' ' ' ASP . 35.3 ttm180 -86.51 113.76 22.7 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.683 -0.69 . . . . 3.36 110.479 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -83.21 173.14 11.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.042 -0.526 . . . . 1.1 109.606 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.3 m -63.27 -14.27 47.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 2.32 111.756 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -76.11 -9.15 58.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.816 0.341 . . . . 1.91 110.847 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.51 11.37 82.05 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.904 -0.665 . . . . 0.64 111.645 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.7 mt -103.7 156.94 17.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.09 -0.337 . . . . 1.23 110.09 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -105.77 135.63 46.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.034 0.445 . . . . 0.93 110.761 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -127.04 136.24 51.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.802 -0.636 . . . . 0.94 109.826 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -80.7 128.23 33.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.926 0.393 . . . . 1.5 110.485 -178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -149.18 165.6 29.4 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.901 -0.666 . . . . 0.22 111.859 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.453 ' HE2' ' HA2' ' A' ' 43' ' ' GLY . 52.3 tttm -107.56 124.73 50.36 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.564 0.221 . . . . 1.52 110.709 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.07 111.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.43 -0.35 . . . . 1.11 110.291 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -90.56 -34.43 15.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.033 0.444 . . . . 1.69 110.147 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 71' ' ' LEU . 74.6 ttt180 -146.79 134.86 21.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.782 -0.645 . . . . 3.86 109.986 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.554 HG21 ' SG ' ' A' ' 70' ' ' CYS . 9.1 p -107.98 135.16 47.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.584 -0.525 . . . . 1.59 109.584 174.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.425 ' OG ' ' HD3' ' A' ' 67' ' ' LYS . 35.8 t -123.66 108.49 12.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.968 0.413 . . . . 1.81 110.631 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 56.5 p -73.59 -20.58 60.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.07 -0.514 . . . . 1.64 110.321 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.9 m -73.2 -37.91 66.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.156 -0.475 . . . . 1.66 110.999 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.425 ' HD3' ' OG ' ' A' ' 64' ' ' SER . 4.3 mptp? -98.93 -6.09 29.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 2.76 111.48 -177.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 58.11 32.46 22.03 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.055 0.455 . . . . 2.05 110.749 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.651 ' HB3' HD21 ' A' ' 83' ' ' LEU . 19.1 p -141.72 167.03 23.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.81 -0.632 . . . . 1.89 110.469 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.554 ' SG ' HG21 ' A' ' 63' ' ' VAL . 75.7 m -130.01 139.92 50.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.086 -0.507 . . . . 1.8 110.396 177.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.425 HD22 ' HE2' ' A' ' 79' ' ' LYS . 57.9 tp -82.3 108.2 15.56 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.663 -0.866 . . . . 1.53 108.663 175.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.486 HG12 ' SG ' ' A' ' 48' ' ' CYS . 58.7 t -103.37 137.13 32.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 116.189 -0.459 . . . . 1.06 111.259 -173.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.8 m -101.31 110.27 22.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.548 -0.538 . . . . 1.08 109.548 174.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.458 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 98.7 m-85 -81.95 -177.31 6.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.366 -0.379 . . . . 0.35 111.142 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.3 -31.04 70.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.3 0.572 . . . . 2.31 110.681 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -77.36 0.73 21.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.426 -0.806 . . . . 1.84 110.57 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.3 t30 71.83 5.51 5.38 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.64 -0.709 . . . . 2.59 110.437 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.46 137.9 36.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.699 -0.682 . . . . 1.36 110.501 178.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 45.6 mtpt -103.08 131.86 49.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.575 -0.739 . . . . 2.25 110.01 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.458 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 73.6 m-85 -142.39 145.27 33.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.689 -0.232 . . . . 1.03 110.601 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -84.41 109.46 17.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.211 -0.449 . . . . 0.36 110.491 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.405 ' HB ' HD12 ' A' ' 87' ' ' ILE . 21.0 t -107.91 137.07 41.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.389 -0.597 . . . . 1.26 109.389 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.651 HD21 ' HB3' ' A' ' 69' ' ' SER . 95.5 mt -68.92 150.43 47.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.524 0.202 . . . . 1.69 110.733 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 51.5 m0 -56.18 -35.68 67.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 0.56 110.696 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -65.16 -16.39 63.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.841 -0.618 . . . . 3.29 111.859 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.495 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 36.4 m-20 -110.79 5.47 20.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.859 0.361 . . . . 0.48 110.819 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.423 HG21 ' HB ' ' A' ' 46' ' ' VAL . 66.5 mt -111.68 116.77 53.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.217 -0.447 . . . . 1.11 110.682 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -121.97 132.17 54.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.896 -0.593 . . . . 2.71 109.962 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -58.47 135.52 57.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.989 0.366 . . . . 1.85 111.989 -174.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 1.21 110.129 177.161 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 121.133 0.492 . . . . 2.13 111.144 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.547 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 40.4 m -134.83 144.33 47.53 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.526 -0.761 . . . . 1.14 109.424 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.509 ' HG2' HG21 ' A' ' 63' ' ' VAL . 30.6 mt-10 -70.24 134.52 48.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.944 0.402 . . . . 1.1 110.557 -177.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.8 -3.66 60.9 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.95 -0.643 . . . . 0.46 112.262 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.547 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 15.5 mt-30 -95.19 151.23 19.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.622 0.249 . . . . 1.23 110.398 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -90.44 137.32 32.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.896 -0.409 . . . . 1.69 109.896 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.447 HG12 HD12 ' A' ' 60' ' ' ILE . 16.1 m -139.85 163.16 25.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.264 0.554 . . . . 1.02 111.377 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.7 mt -102.39 111.09 23.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.446 -0.946 . . . . 1.2 108.446 176.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.449 ' SG ' HG12 ' A' ' 72' ' ' VAL . 59.1 m -98.89 123.21 43.01 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.874 0.369 . . . . 1.47 110.803 -175.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 60.2 ttt180 -89.32 110.85 21.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.964 -0.562 . . . . 3.36 110.074 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -82.37 178.26 8.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.069 -0.514 . . . . 1.1 110.079 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 t -63.22 -15.62 57.59 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.012 0.434 . . . . 2.32 111.675 -175.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -76.46 -8.13 56.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.053 0.454 . . . . 1.91 110.664 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.2 -2.3 86.72 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.954 -0.566 . . . . 0.64 112.134 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 89.4 mt -95.31 160.94 14.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.717 0.294 . . . . 1.23 110.816 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 43.8 m-85 -105.39 139.07 40.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.101 -0.5 . . . . 0.93 110.708 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -127.35 145.54 50.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.515 -0.766 . . . . 0.94 109.55 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -82.85 132.94 35.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.872 0.367 . . . . 1.5 110.923 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.81 168.64 33.92 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.956 -0.64 . . . . 0.22 112.02 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -112.09 128.04 56.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.45 0.167 . . . . 1.52 110.802 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.447 HD12 HG12 ' A' ' 46' ' ' VAL . 64.4 mt -64.77 120.75 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 1.11 110.249 178.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.414 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 14.1 tppt? -97.98 -43.81 6.92 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.139 -0.482 . . . . 1.69 110.367 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.478 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 65.6 ttt180 -145.93 133.67 21.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.235 -0.438 . . . . 3.86 110.737 -178.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.509 HG21 ' HG2' ' A' ' 42' ' ' GLU . 75.4 t -100.72 124.38 54.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.636 -0.257 . . . . 1.59 110.898 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.1 t -106.23 102.6 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.489 -0.56 . . . . 1.81 109.489 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.543 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 17.2 m -73.24 -28.79 62.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.788 -0.642 . . . . 1.64 110.975 -176.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 p -73.38 -41.21 63.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.987 -0.552 . . . . 1.66 111.642 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -91.9 -6.21 51.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.65 -0.25 . . . . 2.76 111.564 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 61.0 35.65 18.9 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.986 0.422 . . . . 2.05 110.854 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.7 p -136.21 160.05 39.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.975 -0.557 . . . . 1.89 110.833 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 93.9 m -128.67 138.1 51.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.078 -0.51 . . . . 1.8 110.366 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.431 HD12 ' HB3' ' A' ' 79' ' ' LYS . 61.9 tp -79.62 108.78 13.43 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.416 -0.957 . . . . 1.53 108.416 173.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.449 HG12 ' SG ' ' A' ' 48' ' ' CYS . 58.2 t -108.53 137.74 38.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 116.161 -0.472 . . . . 1.06 110.551 -174.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.3 m -103.01 108.7 19.97 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.657 -0.497 . . . . 1.08 109.657 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.421 ' CE2' ' HD2' ' A' ' 80' ' ' TYR . 98.5 m-85 -74.99 176.29 7.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.274 -0.421 . . . . 0.35 111.178 -177.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.2 -22.13 66.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 2.31 111.788 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -86.89 6.13 33.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.96 0.41 . . . . 1.84 110.29 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 69.11 19.69 7.91 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.142 0.972 . . . . 2.59 109.492 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -80.51 133.03 35.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.15 -0.932 . . . . 1.36 109.75 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HB3' HD12 ' A' ' 71' ' ' LEU . 53.3 mtpt -108.77 130.32 55.38 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.11 -0.33 . . . . 2.25 110.11 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.421 ' HD2' ' CE2' ' A' ' 74' ' ' PHE . 80.0 m-85 -147.1 156.59 43.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 1.03 110.628 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -97.85 108.72 21.49 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.686 -0.487 . . . . 0.36 109.686 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.3 t -105.42 136.43 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.396 -0.366 . . . . 1.26 110.106 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.58 143.26 57.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.303 -0.408 . . . . 1.69 110.696 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.543 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 50.4 m0 -55.92 -34.58 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.56 111.589 -177.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -61.7 -28.4 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 3.29 111.573 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -101.22 3.46 40.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.39 -0.368 . . . . 0.48 111.124 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.8 mt -102.38 119.73 51.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.262 0.553 . . . . 1.11 110.829 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -110.36 165.72 11.55 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.3 -1.0 . . . . 2.71 108.3 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -80.03 147.82 31.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.302 0.501 . . . . 1.85 110.407 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.388 0 C-N-CA 120.948 -0.301 . . . . 1.21 110.757 179.306 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.8 t . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 121.001 0.429 . . . . 2.43 110.119 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -95.59 124.25 39.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.056 -0.52 . . . . 4.38 109.983 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.77 131.11 45.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.109 -0.496 . . . . 2.13 111.011 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.6 m -132.55 154.4 50.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.218 -0.901 . . . . 1.14 109.467 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -70.64 139.98 51.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.919 0.39 . . . . 1.1 111.038 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.5 -7.95 77.35 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.013 -0.613 . . . . 0.46 112.71 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -76.59 136.24 39.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.82 0.343 . . . . 1.23 110.855 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 96.8 m-85 -85.27 125.28 32.77 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.342 -0.984 . . . . 1.69 108.342 170.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 m -133.76 161.18 41.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.31 0.576 . . . . 1.02 111.581 -173.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.742 HD23 ' HE2' ' B' ' 39' ' ' HIS . 84.0 mt -104.28 110.56 22.83 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.127 -0.942 . . . . 1.2 108.718 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 62.7 m -92.64 122.95 35.56 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.933 -0.576 . . . . 1.47 109.827 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.48 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . 32.1 ttt180 -85.16 110.02 18.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.733 -0.667 . . . . 3.36 110.329 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -80.74 178.42 8.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.517 -0.765 . . . . 1.1 110.274 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -70.9 -0.75 9.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.21 0.529 . . . . 2.32 111.741 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -85.46 -12.46 51.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.541 . . . . 1.91 110.355 174.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.65 -2.23 85.97 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.401 -0.68 . . . . 0.64 111.401 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.5 mt -96.5 160.33 14.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.345 -0.428 . . . . 1.23 110.295 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.531 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . 84.4 m-85 -105.35 139.69 39.6 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.107 -0.497 . . . . 0.93 110.434 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.534 ' CD1' ' HE2' ' B' ' 36' ' ' M3L . 91.8 m-85 -121.02 142.78 49.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.53 -0.759 . . . . 0.94 110.055 178.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.3 tp -84.67 133.65 34.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.784 0.326 . . . . 1.5 110.83 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.25 169.14 36.04 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.023 -0.608 . . . . 0.22 112.172 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 42.7 tttm -114.47 126.84 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.645 0.26 . . . . 1.52 110.792 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.1 mt -68.76 116.51 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 1.11 110.263 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -95.01 -42.05 8.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.045 0.45 . . . . 1.69 110.318 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -137.24 137.0 38.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.817 -0.629 . . . . 3.86 110.12 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.443 HG21 ' SG ' ' A' ' 70' ' ' CYS . 9.2 p -117.92 138.86 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 110.091 -0.337 . . . . 1.59 110.091 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -134.9 114.67 12.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.09 0.472 . . . . 1.81 110.959 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.585 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 6.1 p -69.22 -44.45 72.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.613 -0.721 . . . . 1.64 112.316 -175.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.4 m -65.2 -39.1 92.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.8 0.333 . . . . 1.66 111.202 -177.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -76.41 -22.12 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.361 -0.381 . . . . 2.76 111.218 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 63.27 29.77 15.81 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.382 0.61 . . . . 2.05 110.396 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.457 ' HG ' HD21 ' A' ' 83' ' ' LEU . 41.3 m -139.62 157.51 45.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.716 -0.674 . . . . 1.89 110.114 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.443 ' SG ' HG21 ' A' ' 63' ' ' VAL . 73.2 m -121.44 141.02 51.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.242 -0.435 . . . . 1.8 110.245 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.615 HD12 ' HB3' ' A' ' 79' ' ' LYS . 53.5 tp -82.36 108.15 15.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.746 -0.835 . . . . 1.53 108.746 174.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 54.5 t -110.87 137.75 41.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.826 -0.625 . . . . 1.06 110.643 -174.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 78' ' ' SER . 76.5 m -102.43 109.43 21.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.824 -0.436 . . . . 1.08 109.824 174.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.518 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 99.4 m-85 -74.73 179.71 4.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.5 . . . . 0.35 111.249 -176.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.43 -30.4 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.843 -0.617 . . . . 2.31 111.499 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -90.1 17.44 6.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.024 0.44 . . . . 1.84 110.538 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 69.24 13.74 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.448 -0.796 . . . . 2.59 111.931 172.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 73' ' ' THR . 62.4 p -83.24 140.66 32.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.282 -0.266 . . . . 1.36 110.282 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.615 ' HB3' HD12 ' A' ' 71' ' ' LEU . 38.6 mtmm -107.31 130.47 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.995 0.426 . . . . 2.25 110.475 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.518 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 64.5 m-85 -141.42 154.23 45.48 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.878 -0.601 . . . . 1.03 110.476 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -95.69 108.33 20.62 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.492 -0.559 . . . . 0.36 109.492 173.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.3 t -105.46 136.77 38.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.897 -0.592 . . . . 1.26 109.888 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.457 HD21 ' HG ' ' A' ' 69' ' ' SER . 52.1 mt -61.86 144.18 55.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.452 -0.34 . . . . 1.69 110.77 177.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.585 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 53.5 m0 -57.33 -31.26 65.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.56 111.081 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -69.62 -16.04 63.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.02 -0.536 . . . . 3.29 111.352 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -107.46 0.53 22.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.89 0.376 . . . . 0.48 111.011 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 83' ' ' LEU . 70.2 mt -105.34 118.43 52.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.196 0.522 . . . . 1.11 110.911 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -112.14 148.53 33.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.673 -0.694 . . . . 2.71 109.512 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -73.15 146.42 45.67 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.112 -0.329 . . . . 1.85 110.112 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.38 136.17 39.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.802 0.334 . . . . 1.21 110.262 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.33 14.72 53.31 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.919 -0.658 . . . . 1.51 112.602 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.7 m -121.07 148.95 50.25 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.706 0.289 . . . . 2.53 110.558 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.56 42.07 1.09 Allowed 'Trans proline' 0 CA--C 1.529 0.231 0 C-N-CA 123.143 2.562 . . . . 3.08 113.388 -177.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 90.83 99.02 1.2 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.543 -0.837 . . . . 3.95 112.176 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.87 -0.586 . . . . 5.9 109.792 177.802 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.41 -0.219 . . . . 10.04 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -79.46 -30.34 42.12 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.13 0.49 . . . . 9.03 109.982 176.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.38 79.56 0.3 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.789 -0.924 . . . . 6.35 110.789 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.34 111.84 3.1 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 111.021 -0.832 . . . . 3.8 111.021 -172.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.26 126.59 31.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.954 0.407 . . . . 3.42 110.409 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' M3L . . . . . 0.534 ' HE2' ' CD1' ' A' ' 56' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 115.774 -0.648 . . . . 2.36 109.451 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -105.03 127.75 28.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 121.287 0.565 . . . . 3.48 111.762 -173.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.468 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 96.1 Cg_endo -90.9 150.77 3.96 Favored 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 122.996 2.464 . . . . 1.5 111.695 173.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.742 ' HE2' HD23 ' A' ' 47' ' ' LEU . 3.9 p-80 -158.71 171.45 20.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.749 0.309 . . . . 2.4 111.215 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -92.33 62.81 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.217 -0.447 . . . . 5.27 110.542 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 57.5 t80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.39 -0.814 . . . . 3.41 111.028 178.216 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 120.728 0.299 . . . . 2.43 110.427 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HE3' ' HB3' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -93.81 100.15 12.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.32 -0.622 . . . . 4.38 109.32 178.223 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.557 HD13 HD12 ' A' ' 60' ' ' ILE . 3.0 mm? -85.63 132.22 34.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.141 0.495 . . . . 2.13 111.157 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.465 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 54.3 m -139.83 142.06 36.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.659 -0.7 . . . . 1.14 109.441 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.554 ' HA ' HG23 ' A' ' 60' ' ' ILE . 72.5 mt-10 -71.93 142.71 49.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.979 0.419 . . . . 1.1 111.256 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.472 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 89.38 17.44 55.26 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.587 -0.733 . . . . 0.46 112.378 -177.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.465 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 12.4 mt-30 -118.63 155.97 30.04 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.305 -0.257 . . . . 1.23 110.305 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -96.83 131.3 43.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.264 0.554 . . . . 1.69 110.746 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.545 ' HB ' ' O ' ' A' ' 88' ' ' GLN . 24.5 m -134.4 155.34 38.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.499 -0.773 . . . . 1.02 110.889 -176.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.3 mt -98.38 110.69 23.24 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.572 -0.899 . . . . 1.2 108.572 170.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.684 ' HB3' ' HE1' ' A' ' 74' ' ' PHE . 53.7 t -96.21 121.38 37.92 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.737 -0.665 . . . . 1.47 110.097 -175.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -84.18 137.37 33.55 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.827 -0.624 . . . . 3.36 109.936 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.612 ' HB2' ' HE2' ' A' ' 56' ' ' TYR . 7.9 t-105 -100.22 168.52 9.75 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.836 -0.62 . . . . 1.1 109.507 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 p -66.93 -9.46 38.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 2.32 111.423 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.4 3.76 51.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 1.91 111.205 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.92 25.22 64.98 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.938 -0.648 . . . . 0.64 112.925 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -122.0 156.21 33.95 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.847 -0.427 . . . . 1.23 109.847 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.657 ' HB2' ' HB2' ' B' ' 39' ' ' HIS . 63.0 m-85 -106.72 148.66 28.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.783 0.325 . . . . 0.93 110.759 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.612 ' HE2' ' HB2' ' A' ' 50' ' ' TRP . 66.0 m-85 -137.43 131.78 32.45 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.989 -0.551 . . . . 0.94 110.193 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 tp -78.15 136.0 37.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.93 0.395 . . . . 1.5 110.843 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.2 164.75 34.54 Favored Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 120.955 -0.641 . . . . 0.22 112.098 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 77.4 tttt -103.61 126.45 50.76 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.411 -0.218 . . . . 1.52 110.411 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.678 HG21 ' SG ' ' A' ' 70' ' ' CYS . 73.8 mt -60.19 111.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.922 0.391 . . . . 1.11 110.115 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -88.83 -45.66 9.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.816 -0.629 . . . . 1.69 110.015 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.407 ' HA ' ' CD ' ' A' ' 42' ' ' GLU . 67.5 ttt180 -149.75 126.77 11.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.535 -0.757 . . . . 3.86 110.016 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.493 HG13 ' HG3' ' A' ' 42' ' ' GLU . 11.0 p -110.67 133.01 57.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.128 0.49 . . . . 1.59 110.534 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.8 p -112.05 105.15 13.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.093 -0.503 . . . . 1.81 110.545 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.658 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 11.0 p -71.8 -31.3 66.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.912 -0.585 . . . . 1.64 111.433 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.5 m -69.55 -33.52 72.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.231 0.539 . . . . 1.66 110.62 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -97.37 -4.77 37.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.719 -0.673 . . . . 2.76 111.195 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 54.9 31.35 15.66 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.029 -0.532 . . . . 2.05 111.49 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.521 ' HB3' HD21 ' A' ' 83' ' ' LEU . 1.4 p -138.07 163.34 31.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.958 -0.565 . . . . 1.89 110.214 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.678 ' SG ' HG21 ' A' ' 60' ' ' ILE . 44.1 t -133.73 141.83 47.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.106 0.479 . . . . 1.8 111.436 -176.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.7 tp -88.5 108.85 19.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.351 -0.841 . . . . 1.53 109.168 172.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 37.1 t -104.32 132.22 51.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.061 -0.518 . . . . 1.06 110.699 -175.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.2 m -96.79 96.12 8.35 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.334 -0.617 . . . . 1.08 109.334 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.684 ' HE1' ' HB3' ' A' ' 48' ' ' CYS . 92.8 m-85 -71.61 171.75 10.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.118 -0.492 . . . . 0.35 111.258 -173.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.32 -20.07 62.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.399 0.618 . . . . 2.31 109.929 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.99 ' HB2' ' HB2' ' B' ' 36' ' ' M3L . 36.7 t70 -77.9 -1.53 32.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.29 -0.868 . . . . 1.84 110.602 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.8 t30 76.08 -31.62 0.2 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.77 0.828 . . . . 2.59 110.937 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 76' ' ' ASP . 19.6 m -59.12 133.86 56.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.069 -0.514 . . . . 1.36 110.577 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 47.5 mtpt -110.08 131.16 55.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.827 -0.624 . . . . 2.25 109.924 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -136.15 156.98 47.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.716 0.293 . . . . 1.03 110.786 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -97.61 121.69 39.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.871 -0.604 . . . . 0.36 109.917 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.549 HG22 ' SG ' ' A' ' 48' ' ' CYS . 21.4 t -129.15 144.4 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.472 -0.331 . . . . 1.26 110.35 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 69' ' ' SER . 96.3 mt -64.22 150.89 44.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.864 0.364 . . . . 1.69 110.799 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.658 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 53.8 m0 -64.61 -21.05 66.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.56 111.606 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -64.89 -13.91 58.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.41 -0.359 . . . . 3.29 111.724 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -117.74 -9.24 10.75 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.762 0.282 . . . . 0.48 111.762 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.517 HD12 ' HB ' ' A' ' 82' ' ' VAL . 77.1 mt -98.07 117.63 43.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.049 0.452 . . . . 1.11 111.158 -175.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.545 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 63.0 mt-30 -117.96 165.28 13.89 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.852 -0.613 . . . . 2.71 109.786 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -90.58 142.6 27.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.726 0.298 . . . . 1.85 111.494 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.08 147.01 24.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.389 . . . . 1.21 110.232 176.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.88 5.38 62.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.737 . . . . 1.51 112.419 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.0 m -117.25 147.08 39.7 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 109.75 -0.463 . . . . 2.53 109.75 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.42 -51.25 10.41 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.757 2.305 . . . . 3.08 112.503 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.84 76.29 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.929 -0.653 . . . . 3.95 111.791 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.671 -0.68 . . . . 5.9 110.273 -177.37 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.544 ' HB1' HM13 ' B' ' 36' ' ' M3L . . . . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.148 -0.315 . . . . 10.04 110.148 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 12.0 t -86.98 137.32 32.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.183 0.516 . . . . 9.03 110.973 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.63 141.06 9.71 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.794 -0.717 . . . . 6.35 111.949 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -109.29 -46.97 0.89 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.744 -0.741 . . . . 3.8 111.902 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.753 HG21 ' HA ' ' A' ' 76' ' ' ASP . 9.8 m -134.66 31.68 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.354 0.597 . . . . 3.42 110.549 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' M3L . . . . . 0.99 ' HB2' ' HB2' ' A' ' 76' ' ' ASP . . . . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 115.888 -0.597 . . . . 2.36 110.848 -176.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 48.4 mmtm -93.37 114.51 63.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.03 -0.359 . . . . 3.48 110.03 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 7.9 Cg_exo -73.2 139.73 29.83 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.096 2.53 . . . . 1.5 112.615 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.657 ' HB2' ' HB2' ' A' ' 55' ' ' TYR . 69.2 m80 -91.89 142.13 27.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.834 -0.621 . . . . 2.4 109.553 176.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -108.76 112.65 25.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.401 -0.363 . . . . 5.27 110.696 -176.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.556 -0.735 . . . . 3.41 109.719 175.907 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.606 ' HB3' ' HE1' ' A' ' 89' ' ' HIS . 18.5 m . . . . . 0 N--CA 1.475 0.821 0 CA-C-O 120.493 0.187 . . . . 2.43 110.532 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? 67.13 103.04 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.531 0.681 . . . . 4.38 111.321 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.61 132.56 40.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.69 -0.686 . . . . 2.13 110.551 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 m -131.84 147.02 52.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.678 -0.692 . . . . 1.14 109.769 -177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' OE2' ' HA ' ' A' ' 62' ' ' ARG . 27.6 mt-10 -73.59 152.64 40.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.812 0.339 . . . . 1.1 110.75 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 88.43 -8.84 77.73 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.46 112.194 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -86.76 144.08 27.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.845 0.355 . . . . 1.23 110.769 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -90.8 122.93 33.95 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.557 -0.905 . . . . 1.69 108.557 174.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 m -128.68 152.77 37.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.248 0.547 . . . . 1.02 111.556 -175.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' A' ' 90' ' ' ALA . 56.8 mt -87.51 111.11 20.85 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.212 -0.904 . . . . 1.2 108.893 175.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.509 ' SG ' HG12 ' A' ' 72' ' ' VAL . 57.0 m -100.76 118.1 36.18 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.262 -0.426 . . . . 1.47 110.231 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.616 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 70.4 ttt180 -73.92 105.25 5.1 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.512 0.672 . . . . 3.36 109.778 177.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -87.43 -179.01 6.29 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.138 -0.937 . . . . 1.1 110.623 -172.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.9 m -64.36 -16.33 62.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.982 -0.553 . . . . 2.32 112.291 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -76.1 -10.16 59.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 1.91 110.454 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.99 0.49 85.52 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.775 -0.726 . . . . 0.64 111.494 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.99 170.91 7.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.522 -0.339 . . . . 1.23 110.169 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -105.14 136.31 44.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.961 0.41 . . . . 0.93 110.137 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -128.19 133.22 48.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.781 -0.645 . . . . 0.94 110.444 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.8 tp -73.91 128.84 36.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.081 0.467 . . . . 1.5 111.027 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -147.26 164.55 28.67 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.448 -0.661 . . . . 0.22 111.448 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 82.7 tttt -105.25 125.68 51.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.951 0.375 . . . . 1.52 111.476 -178.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.441 HG21 ' HB3' ' A' ' 70' ' ' CYS . 65.8 mt -70.96 116.24 12.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 1.11 110.27 177.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -100.25 -25.66 14.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.575 0.226 . . . . 1.69 110.711 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.461 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 64.9 ttt180 -149.37 149.21 30.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.322 -0.399 . . . . 3.86 110.008 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.3 t -120.67 126.89 75.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.683 0.278 . . . . 1.59 110.657 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.5 t -108.23 101.84 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.242 -0.651 . . . . 1.81 109.242 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.412 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 15.5 m -74.65 -30.44 61.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.979 -0.555 . . . . 1.64 111.65 -174.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.2 p -72.09 -31.06 65.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.188 0.518 . . . . 1.66 111.073 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -96.48 -6.86 36.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.955 -0.566 . . . . 2.76 110.942 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 55.65 42.96 28.9 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.399 0.618 . . . . 2.05 110.237 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.523 ' HB2' HD21 ' A' ' 83' ' ' LEU . 23.2 t -144.14 146.74 32.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.547 -0.751 . . . . 1.89 109.94 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.441 ' HB3' HG21 ' A' ' 60' ' ' ILE . 70.8 m -116.46 145.47 43.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.895 0.379 . . . . 1.8 110.947 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 tp -79.73 107.98 12.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.286 -1.005 . . . . 1.53 108.286 171.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.509 HG12 ' SG ' ' A' ' 48' ' ' CYS . 61.5 t -112.91 131.15 65.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.993 -0.549 . . . . 1.06 110.793 -174.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' A' ' 79' ' ' LYS . 20.2 m -101.29 106.05 17.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.526 -0.546 . . . . 1.08 109.526 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.437 ' HE1' ' HB2' ' A' ' 48' ' ' CYS . 94.3 m-85 -71.59 176.12 5.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.56 . . . . 0.35 110.333 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.542 ' HB2' ' H ' ' B' ' 36' ' ' M3L . 31.0 mt-10 -59.11 -20.2 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.232 0.539 . . . . 2.31 110.905 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.501 ' HA ' HG22 ' B' ' 35' ' ' VAL . 21.5 t70 -77.38 -1.12 28.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.536 -0.756 . . . . 1.84 110.497 -179.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.3 m120 69.13 7.25 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.451 -0.795 . . . . 2.59 111.056 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.9 m -97.0 135.27 39.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.507 -0.769 . . . . 1.36 109.677 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HG2' ' OG1' ' A' ' 73' ' ' THR . 53.3 mttp -96.67 131.7 43.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.474 -0.33 . . . . 2.25 110.899 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.424 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 84.2 m-85 -139.85 159.16 42.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.96 -0.564 . . . . 1.03 109.806 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -97.29 112.37 24.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.112 0.482 . . . . 0.36 110.472 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 48' ' ' CYS . 18.8 t -105.32 139.09 27.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.63 . . . . 1.26 109.413 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 69' ' ' SER . 94.7 mt -72.74 147.35 45.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.706 -0.224 . . . . 1.69 110.425 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.412 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 46.7 m0 -57.16 -26.07 59.98 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.183 0.516 . . . . 0.56 110.403 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -67.47 -21.65 65.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.276 -0.875 . . . . 3.29 111.059 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 45.5 m-20 -112.32 1.92 16.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.48 110.75 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.3 mt -101.63 126.88 55.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.14 -0.482 . . . . 1.11 110.674 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -124.09 122.43 37.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.071 -0.513 . . . . 2.71 109.798 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.606 ' HE1' ' HB3' ' A' ' 38' ' ' SER . 74.0 m80 -56.86 129.12 40.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.52 -0.309 . . . . 1.85 110.748 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.516 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . . . -105.81 137.47 43.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.232 -0.44 . . . . 1.21 110.476 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.09 24.54 51.89 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.587 -0.816 . . . . 1.51 111.761 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.548 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 27.5 m -113.21 162.21 23.15 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 110.167 -0.309 . . . . 2.53 110.167 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.548 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 10.7 Cg_endo -54.54 109.9 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.771 2.314 . . . . 3.08 112.127 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.83 -36.14 4.41 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.059 -0.591 . . . . 3.95 112.109 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.243 -0.884 . . . . 5.9 110.002 -178.438 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.34 -0.244 . . . . 10.04 110.34 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' THR . . . . . 0.42 ' O ' HG23 ' B' ' 35' ' ' VAL . 2.1 p -106.62 87.1 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.41 0.624 . . . . 9.03 110.873 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.96 -123.64 8.09 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.674 -0.774 . . . . 6.35 112.194 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -93.78 -8.67 60.49 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.691 -0.766 . . . . 3.8 112.597 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 76' ' ' ASP . 24.7 m -100.26 153.62 4.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.665 0.269 . . . . 3.42 111.163 -177.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' M3L . . . . . 0.542 ' H ' ' HB2' ' A' ' 75' ' ' GLU . . . . . . . . 0 C--O 1.233 0.205 0 CA-C-N 115.619 -0.719 . . . . 2.36 110.612 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -93.5 149.63 37.55 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.439 -0.801 . . . . 3.48 110.078 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.6 100.47 0.8 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.202 1.934 . . . . 1.5 111.984 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -88.22 112.7 23.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.954 -0.567 . . . . 2.4 109.524 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -79.46 161.22 26.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.167 0.508 . . . . 5.27 110.644 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.515 -0.755 . . . . 3.41 110.192 -176.501 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.492 ' HB3' ' HD2' ' A' ' 89' ' ' HIS . 16.0 m . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 110.224 -0.288 . . . . 2.43 110.224 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -78.61 112.27 15.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.656 0.265 . . . . 4.38 110.289 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.456 HD11 ' HG ' ' A' ' 70' ' ' CYS . 74.8 mt -98.81 130.48 45.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.037 0.446 . . . . 2.13 110.45 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -141.48 156.61 45.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.734 -0.666 . . . . 1.14 109.746 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -66.85 119.72 12.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.789 0.328 . . . . 1.1 110.86 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.59 4.01 34.71 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.896 -0.669 . . . . 0.46 112.78 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -97.34 148.32 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.774 0.287 . . . . 1.23 110.81 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -93.05 131.12 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.024 -0.535 . . . . 1.69 109.574 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.7 m -136.61 158.81 37.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.151 0.5 . . . . 1.02 111.491 -175.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.3 mt -97.59 111.23 23.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.402 -0.817 . . . . 1.2 109.058 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.535 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 58.8 m -98.84 124.58 43.84 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.049 -0.523 . . . . 1.47 110.43 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.591 ' NH1' ' HA ' ' A' ' 86' ' ' ASP . 33.3 ttm180 -85.74 118.68 25.39 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.622 -0.717 . . . . 3.36 110.113 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -93.52 175.71 6.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.887 -0.597 . . . . 1.1 109.933 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 m -56.51 -22.78 35.18 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.879 0.472 . . . . 2.32 112.241 -175.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.13 -6.21 50.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.219 -0.446 . . . . 1.91 111.654 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.44 12.58 80.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.64 111.539 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -108.53 156.14 19.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.497 -0.352 . . . . 1.23 110.454 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' B' ' 38' ' ' PRO . 73.6 m-85 -105.07 133.27 50.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.19 -0.459 . . . . 0.93 110.527 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -119.64 152.74 36.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.552 -0.749 . . . . 0.94 110.157 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.625 ' HB2' ' HE1' ' B' ' 39' ' ' HIS . 46.0 tp -92.5 126.61 37.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.888 0.375 . . . . 1.5 110.885 -177.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.563 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -153.16 163.62 30.64 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.654 -0.784 . . . . 0.22 112.483 179.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -111.3 127.09 55.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.76 0.314 . . . . 1.52 110.854 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.68 114.6 4.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.069 -0.514 . . . . 1.11 110.593 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HB3' HD13 ' A' ' 71' ' ' LEU . 3.5 tppp? -94.26 -42.32 8.99 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.885 -0.413 . . . . 1.69 109.885 178.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.458 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 93.8 mtt180 -127.51 152.86 47.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.159 -0.473 . . . . 3.86 109.957 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.2 p -130.26 134.22 62.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.254 0.55 . . . . 1.59 110.732 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.3 t -121.37 105.58 10.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.757 -0.656 . . . . 1.81 109.801 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.4 p -80.12 -32.54 39.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.34 -0.391 . . . . 1.64 110.989 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.4 m -67.13 -41.73 85.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.999 0.428 . . . . 1.66 110.848 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -94.46 -4.15 48.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 2.76 110.556 -179.487 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 53.0 61.45 3.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.682 -0.69 . . . . 2.05 110.561 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.3 p -151.15 160.73 43.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.146 -0.934 . . . . 1.89 109.731 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.456 ' HG ' HD11 ' A' ' 40' ' ' LEU . 71.4 m -136.03 139.83 43.4 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.659 0.266 . . . . 1.8 110.611 177.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' ' 61' ' ' LYS . 3.4 tm? -80.63 107.82 13.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.693 -1.225 . . . . 1.53 107.693 173.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.471 HG22 ' SG ' ' A' ' 48' ' ' CYS . 62.4 t -105.01 129.94 56.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.936 -0.575 . . . . 1.06 110.316 -176.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.8 m -106.38 101.49 10.96 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.699 -0.852 . . . . 1.08 108.699 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.563 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 95.4 m-85 -69.47 173.75 5.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.404 -0.816 . . . . 0.35 111.883 -171.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.23 -16.16 63.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.492 0.663 . . . . 2.31 110.3 174.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.732 ' HB2' ' HB3' ' B' ' 36' ' ' M3L . 32.7 t70 -81.95 -3.67 54.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.251 -0.886 . . . . 1.84 110.327 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 74.01 -3.2 2.58 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.276 -0.874 . . . . 2.59 110.871 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 p -73.1 139.5 46.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.954 0.407 . . . . 1.36 110.274 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HE3' HD12 ' A' ' 71' ' ' LEU . 25.4 mtpp -111.47 130.36 55.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.081 -0.509 . . . . 2.25 109.876 -178.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -146.84 145.68 29.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.625 -0.261 . . . . 1.03 110.862 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -87.11 108.1 18.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.195 -0.668 . . . . 0.36 109.195 172.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.417 ' HB ' HD12 ' A' ' 87' ' ' ILE . 19.0 t -104.68 142.93 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.366 -0.605 . . . . 1.26 109.366 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 65.5 mt -79.53 152.12 30.34 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.046 -0.353 . . . . 1.69 110.046 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 48.4 m0 -60.84 -26.88 67.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 0.56 110.903 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -68.13 -7.34 29.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 3.29 111.977 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.591 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 16.3 m-20 -128.82 9.76 5.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.652 0.263 . . . . 0.48 111.302 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.417 HD12 ' HB ' ' A' ' 82' ' ' VAL . 70.3 mt -111.21 120.9 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.903 0.383 . . . . 1.11 111.116 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -110.73 165.7 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.654 -0.703 . . . . 2.71 109.469 176.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.492 ' HD2' ' HB3' ' A' ' 38' ' ' SER . 2.2 m-70 -85.67 143.95 28.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.684 0.278 . . . . 1.85 110.928 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.61 137.0 44.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.404 . . . . 1.21 110.505 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.32 13.9 67.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.903 -0.665 . . . . 1.51 112.613 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.545 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 32.7 m -113.17 162.27 22.83 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.359 -0.237 . . . . 2.53 110.359 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.545 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 37.6 Cg_endo -67.46 -20.41 48.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.226 1.951 . . . . 3.08 111.689 177.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 159.72 -61.87 0.3 Allowed Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.619 -0.719 . . . . 3.95 111.883 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.579 -0.724 . . . . 5.9 110.841 -177.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.87 0.367 . . . . 10.04 110.542 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 12.6 p -107.13 -69.89 0.82 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.606 -0.27 . . . . 9.03 110.958 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.1 45.27 95.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.165 -0.541 . . . . 6.35 112.437 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -87.21 -171.05 47.17 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.849 -0.691 . . . . 3.8 112.198 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.553 ' CG2' ' HA ' ' A' ' 76' ' ' ASP . 25.3 m -100.93 6.78 9.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.275 0.559 . . . . 3.42 110.37 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' M3L . . . . . 0.732 ' HB3' ' HB2' ' A' ' 76' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.428 -0.805 . . . . 2.36 110.541 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -110.46 114.76 54.86 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.953 -0.567 . . . . 3.48 110.419 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 59.2 Cg_endo -74.66 100.35 1.32 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.411 2.074 . . . . 1.5 112.016 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.625 ' HE1' ' HB2' ' A' ' 57' ' ' LEU . 34.8 p-80 -94.95 13.81 23.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.674 0.274 . . . . 2.4 111.25 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? 68.68 179.44 0.24 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.639 -0.71 . . . . 5.27 111.707 176.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 49.3 t80 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.654 -0.688 . . . . 3.41 110.01 178.32 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 109.854 -0.424 . . . . 2.43 109.854 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 65.44 81.95 0.19 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.456 0.646 . . . . 4.38 110.337 -175.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 40' ' ' LEU . 2.4 mm? -117.19 136.72 52.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.281 -0.872 . . . . 2.13 109.795 -176.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.0 m -148.5 149.48 31.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.827 -0.434 . . . . 1.14 109.827 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -65.15 144.93 56.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.895 0.379 . . . . 1.1 110.802 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.462 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 88.04 10.86 68.41 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.837 -0.697 . . . . 0.46 112.71 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -111.45 145.91 38.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.763 -0.257 . . . . 1.23 110.677 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -87.56 134.83 33.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.888 0.375 . . . . 1.69 110.28 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.402 HG21 ' SG ' ' A' ' 48' ' ' CYS . 13.0 m -142.24 153.16 18.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.019 -0.537 . . . . 1.02 111.231 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.47 ' HB3' ' HB3' ' A' ' 55' ' ' TYR . 78.8 mt -91.99 110.88 22.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.421 -0.955 . . . . 1.2 108.421 172.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.582 ' SG ' HG22 ' A' ' 72' ' ' VAL . 57.5 m -100.83 118.61 37.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.894 0.378 . . . . 1.47 110.643 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.628 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 69.6 ttt-85 -79.77 129.36 34.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.629 -0.714 . . . . 3.36 110.526 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -96.95 174.76 6.62 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.289 -0.634 . . . . 1.1 109.289 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -58.92 -21.23 57.56 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.07 0.462 . . . . 2.32 111.696 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.15 -10.04 59.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.342 -0.39 . . . . 1.91 110.943 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.35 -1.96 80.27 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.039 -0.6 . . . . 0.64 112.291 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.685 HD21 ' HD3' ' B' ' 40' ' ' ARG . 93.9 mt -88.93 151.81 22.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.408 -0.219 . . . . 1.23 110.408 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.758 ' HB2' ' HB2' ' B' ' 39' ' ' HIS . 54.9 m-85 -104.85 137.97 41.82 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.052 -0.722 . . . . 0.93 109.052 176.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -125.26 138.9 54.1 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.636 0.255 . . . . 0.94 110.523 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.435 HD13 ' HD2' ' B' ' 37' ' ' LYS . 0.5 OUTLIER -75.44 131.28 40.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.044 -0.526 . . . . 1.5 110.562 -179.141 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.97 170.56 36.12 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.755 -0.657 . . . . 0.22 111.719 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 74.9 tttt -115.85 125.16 52.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.581 0.229 . . . . 1.52 110.693 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.24 114.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 1.11 110.359 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -96.18 -34.97 11.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.814 -0.63 . . . . 1.69 109.858 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.459 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 97.9 mtt180 -142.01 152.05 43.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.032 -0.531 . . . . 3.86 109.899 176.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 p -126.47 125.53 67.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.849 0.357 . . . . 1.59 110.152 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -113.96 104.42 12.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.041 0.448 . . . . 1.81 110.251 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.6 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 13.1 p -69.55 -40.92 76.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.979 -0.555 . . . . 1.64 111.393 -178.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.0 m -69.44 -21.21 63.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.75 0.31 . . . . 1.66 111.654 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -106.76 -1.45 22.6 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.092 -0.243 . . . . 2.76 111.054 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 53.3 36.75 23.59 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.544 0.528 . . . . 2.05 111.501 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.657 ' HB3' HD21 ' A' ' 83' ' ' LEU . 1.5 p -147.93 161.21 41.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.947 -0.569 . . . . 1.89 110.718 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.7 m -125.91 147.87 49.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.285 -0.416 . . . . 1.8 110.633 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' HB3' ' HB2' ' A' ' 62' ' ' ARG . 61.3 tp -88.37 108.08 19.16 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.434 -0.95 . . . . 1.53 108.434 174.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.582 HG22 ' SG ' ' A' ' 48' ' ' CYS . 48.4 t -106.6 129.88 59.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.112 -0.494 . . . . 1.06 111.206 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.6 m -93.43 102.21 14.43 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.115 -0.698 . . . . 1.08 109.115 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.611 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 97.4 m-85 -77.54 178.03 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.118 0.485 . . . . 0.35 111.566 -174.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.83 -16.32 64.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.579 -0.737 . . . . 2.31 110.427 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.461 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 34.4 t70 -79.48 -4.37 50.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.374 -0.83 . . . . 1.84 109.822 175.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.461 ' HB3' ' O ' ' A' ' 76' ' ' ASP . 24.1 t-20 77.76 -31.28 0.16 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.129 0.972 . . . . 2.59 111.632 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -61.94 137.11 58.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.794 0.331 . . . . 1.36 110.63 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 47.7 mtmt -99.37 131.78 45.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.12 -0.491 . . . . 2.25 110.275 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.611 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 99.3 m-85 -130.87 145.14 51.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.415 -0.357 . . . . 1.03 110.395 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -84.85 109.14 17.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.199 -0.455 . . . . 0.36 110.074 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.51 HG22 ' HB3' ' A' ' 48' ' ' CYS . 22.6 t -108.87 140.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.052 -0.522 . . . . 1.26 109.795 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 69' ' ' SER . 95.9 mt -70.9 149.53 46.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.558 0.218 . . . . 1.69 110.593 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.6 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 54.2 m0 -58.28 -28.39 64.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.56 111.248 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -68.64 -21.24 64.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.043 -0.526 . . . . 3.29 111.26 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.628 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 30.1 m-20 -105.2 -7.63 18.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.383 -0.371 . . . . 0.48 110.848 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 66.4 mt -95.42 115.9 35.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.29 0.567 . . . . 1.11 110.976 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -112.38 151.0 30.31 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.105 -0.702 . . . . 2.71 109.105 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -66.58 134.85 53.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.653 0.263 . . . . 1.85 110.588 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.48 150.52 20.73 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.538 -0.542 . . . . 1.21 109.538 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.02 18.28 54.37 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.568 -0.825 . . . . 1.51 111.287 -176.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.0 m -87.03 149.41 47.53 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.561 -0.32 . . . . 2.53 110.522 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.04 178.8 6.05 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 122.64 2.227 . . . . 3.08 111.839 175.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.51 93.37 0.71 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.713 -0.756 . . . . 3.95 111.756 177.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.738 -0.649 . . . . 5.9 110.066 -178.64 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.841 0.353 . . . . 10.04 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 8.9 t -115.84 24.16 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.46 0.648 . . . . 9.03 110.251 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.09 171.9 14.05 Favored Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.689 -0.687 . . . . 6.35 111.805 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.97 23.32 29.51 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.989 -0.624 . . . . 3.8 111.577 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -136.09 140.24 44.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 110.075 -0.342 . . . . 3.42 110.075 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 116.323 -0.399 . . . . 2.36 110.052 179.7 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.435 ' HD2' HD13 ' A' ' 57' ' ' LEU . 55.0 mttp -65.05 116.9 34.13 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 3.48 111.51 -177.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -94.07 104.18 0.14 Allowed 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 123.498 2.799 . . . . 1.5 112.46 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.758 ' HB2' ' HB2' ' A' ' 55' ' ' TYR . 64.6 m-70 -92.78 161.93 14.32 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.035 -0.53 . . . . 2.4 110.09 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.685 ' HD3' HD21 ' A' ' 54' ' ' LEU . 9.1 tpt180 -152.13 110.69 3.77 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.811 -0.44 . . . . 5.27 109.811 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.4 -0.81 . . . . 3.41 110.441 -177.617 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.452 ' HB2' ' HE1' ' A' ' 89' ' ' HIS . 16.0 p . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 120.683 0.278 . . . . 2.43 110.293 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -75.66 124.12 26.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.589 -0.523 . . . . 4.38 109.589 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.8 mt -106.91 161.22 14.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.265 0.555 . . . . 2.13 111.191 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.489 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 16.4 m -148.64 147.41 28.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 1.14 109.662 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.499 ' OE2' ' HA ' ' A' ' 62' ' ' ARG . 29.0 mt-10 -73.3 151.91 41.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.737 0.303 . . . . 1.1 110.757 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.52 ' HA2' ' HE2' ' A' ' 59' ' ' LYS . . . 79.39 13.57 82.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.124 -0.56 . . . . 0.46 111.986 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.489 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 22.9 mt-30 -110.43 156.57 20.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.735 0.302 . . . . 1.23 110.39 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.461 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 81.5 m-85 -99.42 129.76 45.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.915 -0.584 . . . . 1.69 109.611 178.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.465 HG21 ' HG ' ' A' ' 48' ' ' CYS . 17.4 m -135.77 153.85 33.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.971 -0.559 . . . . 1.02 111.56 -173.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.624 HD23 ' HE2' ' B' ' 39' ' ' HIS . 38.9 mt -92.97 110.73 22.2 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.508 -0.923 . . . . 1.2 108.508 174.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.495 ' SG ' HG22 ' A' ' 72' ' ' VAL . 60.9 m -103.55 121.93 43.9 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.176 -0.466 . . . . 1.47 110.454 -175.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.548 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 25.0 ttt180 -82.05 115.97 21.43 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.943 -0.571 . . . . 3.36 110.303 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -77.76 159.99 28.69 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.021 -0.733 . . . . 1.1 109.021 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 m -68.33 -0.03 4.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.196 0.522 . . . . 2.32 111.502 -175.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -83.88 -15.71 47.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.159 0.504 . . . . 1.91 110.215 175.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.82 2.76 55.16 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.884 -0.674 . . . . 0.64 112.528 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.2 mt -106.12 159.82 15.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.198 -0.297 . . . . 1.23 110.198 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 46.1 m-85 -106.37 144.01 33.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.879 0.371 . . . . 0.93 110.47 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -130.21 155.48 46.19 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.826 -0.625 . . . . 0.94 109.869 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.9 tp -96.24 136.36 36.82 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.119 -0.326 . . . . 1.5 110.119 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.88 169.59 35.2 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.662 -0.78 . . . . 0.22 112.144 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.52 ' HE2' ' HA2' ' A' ' 43' ' ' GLY . 45.3 tttm -116.61 124.9 50.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.648 0.261 . . . . 1.52 110.341 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.16 113.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 1.11 110.55 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -87.34 -40.11 14.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.92 -0.582 . . . . 1.69 109.944 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.499 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 66.8 ttt180 -146.31 133.99 21.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.874 -0.603 . . . . 3.86 110.674 -177.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.489 HG21 ' SG ' ' A' ' 70' ' ' CYS . 10.8 p -105.41 141.73 20.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.436 -0.347 . . . . 1.59 110.513 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.9 m -137.19 105.28 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.104 0.478 . . . . 1.81 110.623 176.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.462 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 14.0 p -71.72 -37.39 70.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.704 -0.68 . . . . 1.64 112.304 -175.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.1 m -65.71 -23.81 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.881 0.326 . . . . 1.66 111.881 -173.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -108.31 -1.59 19.94 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.103 -0.239 . . . . 2.76 110.661 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 51.06 47.14 25.4 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.985 -0.552 . . . . 2.05 111.03 -176.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -143.63 150.43 38.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.707 -0.679 . . . . 1.89 109.845 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.489 ' SG ' HG21 ' A' ' 63' ' ' VAL . 73.2 m -127.94 140.13 52.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.948 0.404 . . . . 1.8 110.77 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' A' ' 79' ' ' LYS . 57.4 tp -80.03 108.63 13.77 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.821 -0.807 . . . . 1.53 108.821 174.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.495 HG22 ' SG ' ' A' ' 48' ' ' CYS . 53.9 t -105.4 134.95 45.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.243 -0.435 . . . . 1.06 110.998 -175.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.1 m -96.72 105.71 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.145 -0.687 . . . . 1.08 109.145 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.702 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 98.2 m-85 -78.23 177.83 8.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.034 0.445 . . . . 0.35 111.627 -174.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 36' ' ' M3L . 18.5 mm-40 -57.25 -28.64 63.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.485 -0.779 . . . . 2.31 111.882 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.746 ' HA ' ' HA2' ' B' ' 34' ' ' GLY . 12.1 p-10 -91.55 23.07 3.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.707 0.289 . . . . 1.84 110.516 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.4 p30 53.84 21.78 2.94 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.755 1.222 . . . . 2.59 112.685 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 m -99.42 139.5 34.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.1 -0.333 . . . . 1.36 110.1 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.743 ' HB3' HD12 ' A' ' 71' ' ' LEU . 98.0 mttt -100.66 131.7 46.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.086 -0.506 . . . . 2.25 110.84 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.702 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 49.3 m-85 -142.21 144.96 33.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.21 -0.45 . . . . 1.03 110.504 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -85.71 109.44 18.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.019 -0.537 . . . . 0.36 110.468 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.522 ' HB ' HD12 ' A' ' 87' ' ' ILE . 21.5 t -107.38 144.18 16.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.031 -0.729 . . . . 1.26 109.031 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.548 HD23 ' HE2' ' A' ' 85' ' ' LYS . 8.0 mp -79.98 153.92 28.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.816 0.341 . . . . 1.69 110.748 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 47.3 m0 -59.26 -27.15 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 0.56 111.843 -176.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.548 ' HE2' HD23 ' A' ' 83' ' ' LEU . 62.7 pttt -63.01 -25.32 68.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 3.29 111.578 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.548 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 59.4 m-20 -106.49 -6.85 17.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.704 0.288 . . . . 0.48 111.193 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.522 HD12 ' HB ' ' A' ' 82' ' ' VAL . 67.9 mt -101.46 122.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.203 0.525 . . . . 1.11 111.499 -176.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.41 ' NE2' ' HE2' ' A' ' 55' ' ' TYR . 1.9 mp0 -120.9 165.61 14.96 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.525 -0.917 . . . . 2.71 108.525 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.452 ' HE1' ' HB2' ' A' ' 38' ' ' SER . 76.6 m80 -79.11 149.93 31.92 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.147 -0.316 . . . . 1.85 110.147 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.84 141.37 33.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.759 0.314 . . . . 1.21 110.622 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.94 7.62 70.38 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.877 -0.678 . . . . 1.51 113.121 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.3 m -83.99 161.81 54.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 122.789 -0.242 . . . . 2.53 110.733 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -52.65 115.01 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.749 2.299 . . . . 3.08 111.555 173.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.04 -15.86 5.82 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.005 -0.838 . . . . 3.95 111.005 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--O 1.254 1.305 0 CA-C-O 118.513 -0.756 . . . . 5.9 109.598 175.894 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 120.881 0.372 . . . . 10.04 110.748 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.68 122.6 14.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.014 -0.539 . . . . 9.03 110.838 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.56 -130.46 10.31 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.666 -0.778 . . . . 6.35 111.842 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.746 ' HA2' ' HA ' ' A' ' 76' ' ' ASP . . . -145.1 -162.97 9.85 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.713 -0.756 . . . . 3.8 112.224 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 64.0 t 62.27 93.83 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 123.092 0.557 . . . . 3.42 111.261 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' M3L . . . . . 0.423 ' HA ' ' HB2' ' A' ' 75' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.17 -0.468 . . . . 2.36 111.035 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -86.18 123.68 71.31 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.016 -0.538 . . . . 3.48 110.422 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.91 149.39 22.86 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.672 2.248 . . . . 1.5 112.311 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.624 ' HE2' HD23 ' A' ' 47' ' ' LEU . 17.3 p-80 -136.52 179.82 6.13 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.834 -0.621 . . . . 2.4 110.076 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -112.09 178.43 4.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.421 -0.354 . . . . 5.27 110.303 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 84.6 t80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.558 -0.734 . . . . 3.41 109.446 178.78 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 110.182 -0.303 . . . . 2.43 110.182 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.5 tptp 62.96 102.74 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.579 0.704 . . . . 4.38 111.732 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -94.25 145.21 24.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.638 -0.71 . . . . 2.13 109.799 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.8 m -136.49 148.76 47.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.816 0.341 . . . . 1.14 110.409 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.28 125.51 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.247 -0.433 . . . . 1.1 110.811 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.42 0.16 50.18 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.878 -0.677 . . . . 0.46 112.51 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.25 140.75 32.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.891 0.377 . . . . 1.23 111.106 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -88.92 122.76 32.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.967 -0.56 . . . . 1.69 109.532 173.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.548 HG21 ' HG ' ' A' ' 48' ' ' CYS . 29.4 m -130.75 153.43 39.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.931 -0.577 . . . . 1.02 110.89 -175.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.837 HD23 ' HE2' ' B' ' 39' ' ' HIS . 62.2 mt -86.55 110.22 19.65 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.176 -1.046 . . . . 1.2 108.176 172.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.681 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 59.2 m -95.26 117.53 30.43 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.201 0.524 . . . . 1.47 109.788 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.595 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 70.0 ttt-85 -88.24 125.28 34.57 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.353 -0.839 . . . . 3.36 109.81 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -85.16 164.85 17.88 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.982 -0.748 . . . . 1.1 108.982 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 m -63.5 -11.18 21.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.895 0.379 . . . . 2.32 111.58 -176.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.52 -15.91 56.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.092 0.472 . . . . 1.91 110.559 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.23 9.64 47.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.831 -0.7 . . . . 0.64 112.713 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.2 mt -107.24 152.64 23.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.779 -0.248 . . . . 1.23 110.586 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 36.8 m-85 -106.82 142.16 36.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.949 0.404 . . . . 0.93 110.907 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -128.32 140.94 51.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.71 -0.677 . . . . 0.94 109.234 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.6 tp -81.31 130.65 35.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.829 0.347 . . . . 1.5 110.501 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -151.48 170.81 31.05 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.854 -0.688 . . . . 0.22 112.474 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -118.08 123.92 46.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.719 0.295 . . . . 1.52 110.909 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.447 HD12 HG12 ' A' ' 46' ' ' VAL . 67.5 mt -66.38 124.26 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 1.11 110.694 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -101.28 -53.06 3.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.335 -0.393 . . . . 1.69 110.443 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -126.68 126.93 44.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.09 -0.504 . . . . 3.86 110.191 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.426 HG21 ' SG ' ' A' ' 70' ' ' CYS . 7.1 p -109.91 133.95 53.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.836 0.35 . . . . 1.59 110.392 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.0 p -121.4 103.4 8.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.081 0.467 . . . . 1.81 110.366 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.573 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 20.6 t -68.24 -36.39 79.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 1.64 110.879 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.6 m -71.39 -16.65 62.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.968 0.413 . . . . 1.66 111.29 -177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -113.12 -9.56 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.108 -0.496 . . . . 2.76 111.532 -174.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 56.6 43.46 25.55 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.184 0.516 . . . . 2.05 110.782 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t -148.41 156.99 43.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 1.89 110.159 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.426 ' SG ' HG21 ' A' ' 63' ' ' VAL . 77.9 m -135.9 137.69 41.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.314 -0.403 . . . . 1.8 110.814 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.401 ' HB2' ' CE2' ' A' ' 81' ' ' TRP . 60.3 tp -79.95 108.61 13.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.58 -0.896 . . . . 1.53 108.58 172.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.6 HG12 ' SG ' ' A' ' 48' ' ' CYS . 59.1 t -110.28 135.73 48.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.0 -0.546 . . . . 1.06 110.884 -174.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.8 m -101.4 107.3 18.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.37 -0.604 . . . . 1.08 109.37 174.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.681 ' HE1' ' HB2' ' A' ' 48' ' ' CYS . 91.8 m-85 -69.35 168.58 14.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.176 -0.466 . . . . 0.35 110.144 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.29 -14.96 55.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.355 0.598 . . . . 2.31 110.326 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.6 -1.18 29.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.436 -0.802 . . . . 1.84 110.492 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 73.84 1.98 4.08 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.366 0.666 . . . . 2.59 110.901 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 p -89.71 139.4 30.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.256 -0.429 . . . . 1.36 110.635 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -108.38 131.8 54.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 2.25 110.544 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -142.16 150.34 40.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.22 -0.445 . . . . 1.03 110.478 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.401 ' CE2' ' HB2' ' A' ' 71' ' ' LEU . 82.2 m95 -88.1 109.23 19.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.393 -0.367 . . . . 0.36 110.208 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.412 ' HB ' HD12 ' A' ' 87' ' ' ILE . 25.3 t -104.61 144.09 15.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.208 -0.664 . . . . 1.26 109.208 177.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.4 mp -81.0 154.41 26.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.078 -0.341 . . . . 1.69 110.078 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.573 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 50.1 m0 -61.93 -23.64 66.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 0.56 111.094 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -62.06 -21.37 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.756 -0.657 . . . . 3.29 111.644 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 45.7 m-20 -121.55 12.55 10.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.644 0.259 . . . . 0.48 111.073 -178.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.412 HD12 ' HB ' ' A' ' 82' ' ' VAL . 64.1 mt -112.32 120.59 62.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.861 0.363 . . . . 1.11 110.88 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.439 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 6.0 tp60 -129.74 138.36 51.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.057 -0.519 . . . . 2.71 109.924 178.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.441 ' HB2' HG22 ' A' ' 92' ' ' VAL . 66.5 m80 -63.64 142.93 58.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.709 0.29 . . . . 1.85 111.473 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.77 133.72 47.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.489 -0.323 . . . . 1.21 110.432 177.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.07 24.13 35.76 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.783 -0.723 . . . . 1.51 112.537 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' A' ' 89' ' ' HIS . 34.8 m -122.41 147.88 51.11 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.678 0.275 . . . . 2.53 110.68 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.36 -34.23 93.67 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.642 2.228 . . . . 3.08 112.237 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 99.78 12.78 39.47 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.424 -0.671 . . . . 3.95 111.424 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.326 -0.845 . . . . 5.9 110.288 -176.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.477 ' C ' ' HG1' ' B' ' 32' ' ' THR . . . . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.396 0.141 . . . . 10.04 110.813 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' THR . . . . . 0.477 ' HG1' ' C ' ' B' ' 31' ' ' ALA . 35.4 p 49.46 -98.91 0.06 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.673 0.789 . . . . 9.03 112.486 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.48 150.64 14.67 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.51 -0.636 . . . . 6.35 111.51 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.19 16.17 33.41 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.783 -0.722 . . . . 3.8 112.401 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 19.2 m -132.99 142.39 42.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.752 0.311 . . . . 3.42 110.431 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' M3L . . . . . 0.424 ' HD3' HM11 ' B' ' 36' ' ' M3L . . . . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 121.137 0.494 . . . . 2.36 110.801 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.625 ' H ' ' HD3' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -79.31 127.03 80.19 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.023 -0.535 . . . . 3.48 110.361 178.424 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 3.5 Cg_exo -80.79 106.27 1.79 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 123.081 2.521 . . . . 1.5 111.402 176.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.837 ' HE2' HD23 ' A' ' 47' ' ' LEU . 31.0 p-80 -111.92 175.94 5.22 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.145 -0.48 . . . . 2.4 110.483 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.95 170.56 8.02 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.283 -0.636 . . . . 5.27 109.283 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 16.4 t80 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.611 -0.709 . . . . 3.41 110.083 179.119 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.519 0.2 . . . . 2.43 111.075 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -72.69 107.95 5.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.967 0.413 . . . . 4.38 110.567 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -101.79 134.14 45.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.989 -0.55 . . . . 2.13 110.777 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.41 ' HB ' ' NE2' ' A' ' 44' ' ' GLN . 62.7 m -112.98 146.42 39.08 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.614 -0.721 . . . . 1.14 110.036 177.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' HA ' HG23 ' A' ' 60' ' ' ILE . 20.0 mt-10 -66.83 152.56 45.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.094 -0.503 . . . . 1.1 111.583 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.476 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 80.31 18.87 70.49 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.879 -0.677 . . . . 0.46 112.978 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' NE2' ' HB ' ' A' ' 41' ' ' THR . 33.6 mt-30 -112.31 155.1 24.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.947 -0.39 . . . . 1.23 109.947 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -93.95 132.03 38.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.951 0.405 . . . . 1.69 110.167 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.7 m -136.12 156.0 36.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.909 -0.587 . . . . 1.02 110.911 -177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HB2' ' HB3' ' A' ' 88' ' ' GLN . 59.4 mt -99.3 110.96 23.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.765 -0.828 . . . . 1.2 108.765 176.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.662 ' HB3' HG22 ' A' ' 82' ' ' VAL . 57.3 m -96.19 118.19 32.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.095 -0.502 . . . . 1.47 111.028 -173.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.643 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 23.1 ttt180 -84.77 123.87 30.91 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.585 -0.734 . . . . 3.36 110.904 -179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.518 ' HB2' ' HE2' ' A' ' 56' ' ' TYR . 4.9 t-105 -81.42 172.68 13.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.453 -0.794 . . . . 1.1 109.179 176.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 t -64.68 -12.01 41.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.017 0.436 . . . . 2.32 110.956 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -82.91 -10.48 58.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 1.91 111.386 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.57 -1.91 69.67 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.636 -0.792 . . . . 0.64 112.583 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.488 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 95.9 mt -89.35 148.7 23.37 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.112 -0.329 . . . . 1.23 110.112 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.68 ' HB2' ' HB2' ' B' ' 39' ' ' HIS . 51.1 m-85 -105.0 154.83 19.59 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.645 -0.502 . . . . 0.93 109.645 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.518 ' HE2' ' HB2' ' A' ' 50' ' ' TRP . 89.3 m-85 -137.03 138.87 40.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.284 -0.265 . . . . 0.94 110.284 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -75.27 122.43 23.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.029 0.442 . . . . 1.5 110.927 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -150.41 170.93 30.33 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.801 -0.636 . . . . 0.22 112.086 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 80.8 tttt -114.5 130.38 56.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.693 0.283 . . . . 1.52 111.292 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.725 HG21 ' SG ' ' A' ' 70' ' ' CYS . 78.1 mt -60.83 111.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 1.11 110.424 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -98.62 -32.16 11.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.83 -0.623 . . . . 1.69 110.276 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -158.54 135.75 9.97 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.438 -0.579 . . . . 3.86 109.438 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.59 129.9 69.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.047 0.451 . . . . 1.59 110.808 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.4 t -109.55 108.6 19.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.516 . . . . 1.81 110.275 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.452 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 14.2 p -74.0 -32.39 63.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.342 -0.39 . . . . 1.64 110.657 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.8 m -66.58 -41.92 87.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 1.66 111.397 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -93.46 -5.9 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.093 -0.243 . . . . 2.76 111.641 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 58.52 37.19 25.56 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.226 0.536 . . . . 2.05 109.889 -176.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.509 ' HB2' HD21 ' A' ' 83' ' ' LEU . 32.8 t -136.45 167.52 21.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.616 -0.72 . . . . 1.89 110.058 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.725 ' SG ' HG21 ' A' ' 60' ' ' ILE . 53.5 t -140.73 135.51 31.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.963 0.411 . . . . 1.8 111.021 -178.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.8 tp -81.3 108.99 15.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.934 -0.765 . . . . 1.53 108.934 173.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 62.0 t -109.5 135.41 48.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.943 -0.571 . . . . 1.06 111.03 -174.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 m -101.2 106.16 17.35 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.674 -0.491 . . . . 1.08 109.674 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.429 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 85.3 m-85 -75.93 176.21 8.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.856 0.36 . . . . 0.35 111.331 -176.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.28 -25.57 67.19 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.104 -0.498 . . . . 2.31 110.814 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 77' ' ' ASN . 33.1 t70 -79.82 3.46 19.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.736 -0.666 . . . . 1.84 110.569 177.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 0.9 OUTLIER 72.22 -1.03 3.04 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.47 -0.786 . . . . 2.59 111.306 176.006 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.533 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . 0.8 OUTLIER -79.06 137.13 37.4 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.977 -0.556 . . . . 1.36 110.357 177.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 50.8 mtmt -110.21 130.81 55.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.14 -0.482 . . . . 2.25 110.313 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 78' ' ' SER . 97.5 m-85 -139.16 160.02 40.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.281 -0.418 . . . . 1.03 109.966 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -96.25 112.38 24.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.455 -0.339 . . . . 0.36 110.289 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.662 HG22 ' HB3' ' A' ' 48' ' ' CYS . 21.5 t -110.76 130.87 63.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.37 -0.377 . . . . 1.26 110.047 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.509 HD21 ' HB2' ' A' ' 69' ' ' SER . 96.6 mt -62.59 143.23 57.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.429 -0.35 . . . . 1.69 110.475 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.452 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 45.4 m0 -57.45 -24.83 57.98 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.208 0.528 . . . . 0.56 110.527 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -61.76 -29.11 69.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.401 -0.818 . . . . 3.29 111.135 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.643 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 46.1 m-20 -113.51 11.01 18.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.925 0.393 . . . . 0.48 111.032 -175.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 62.1 mt -98.81 120.49 48.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.006 0.431 . . . . 1.11 110.672 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.446 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 11.0 tp60 -105.8 163.16 12.93 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.388 -0.968 . . . . 2.71 108.388 176.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -88.24 134.44 33.79 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.692 -0.403 . . . . 1.85 109.957 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.16 121.82 27.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 1.21 110.324 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.22 23.98 23.24 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.225 -0.75 . . . . 1.51 111.225 -176.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.486 HG23 ' H ' ' A' ' 94' ' ' GLY . 13.5 p -84.38 137.78 39.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.721 -0.474 . . . . 2.53 109.721 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -56.6 -25.63 60.31 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.743 2.296 . . . . 3.08 112.499 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.486 ' H ' HG23 ' A' ' 92' ' ' VAL . . . 115.04 1.72 22.28 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.765 -0.731 . . . . 3.95 112.006 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.798 -0.62 . . . . 5.9 109.577 179.325 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.427 -0.212 . . . . 10.04 110.427 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 25.6 m -83.25 -53.77 5.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.829 0.347 . . . . 9.03 110.649 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.15 -21.34 1.51 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.833 -0.699 . . . . 6.35 112.279 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.452 ' N ' ' HA ' ' A' ' 76' ' ' ASP . . . 176.74 -179.76 47.56 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.74 -0.743 . . . . 3.8 111.714 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 p -89.94 106.16 16.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.834 0.826 . . . . 3.42 110.749 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.145 -0.934 . . . . 2.36 109.608 178.514 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 22.1 pttm -73.41 129.42 85.76 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 3.48 111.146 -176.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.53 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 3.3 Cg_exo -81.6 131.24 7.24 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.385 2.724 . . . . 1.5 112.276 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.68 ' HB2' ' HB2' ' A' ' 55' ' ' TYR . 75.2 m80 -99.38 135.64 40.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.869 -0.605 . . . . 2.4 109.805 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' B' ' 40' ' ' ARG . 6.4 mpt_? -103.91 99.88 9.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.863 0.363 . . . . 5.27 110.843 -177.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.566 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 48.0 m-85 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.628 -0.701 . . . . 3.41 110.219 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.448 ' HB3' ' CE1' ' A' ' 89' ' ' HIS . 16.0 m . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.806 0.336 . . . . 2.43 110.271 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.91 133.63 34.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.15 0.5 . . . . 4.38 110.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 84' ' ' TRP . 90.3 mt -108.67 141.68 40.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.232 -0.44 . . . . 2.13 111.526 -173.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.6 m -129.64 147.46 51.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.845 -0.616 . . . . 1.14 109.811 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -70.66 140.23 51.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.903 0.382 . . . . 1.1 110.696 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' HA2' ' HE2' ' A' ' 59' ' ' LYS . . . 99.28 -6.52 59.59 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.893 -0.67 . . . . 0.46 111.965 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -91.98 146.45 23.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.708 0.29 . . . . 1.23 110.728 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -89.06 126.07 35.28 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.62 -0.511 . . . . 1.69 109.62 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.423 ' HB ' HG21 ' A' ' 87' ' ' ILE . 23.4 m -134.04 153.84 36.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.328 0.585 . . . . 1.02 111.684 -175.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.9 mt -88.77 111.45 22.01 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.153 -0.93 . . . . 1.2 108.964 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.486 ' SG ' HG12 ' A' ' 72' ' ' VAL . 35.6 m -98.64 119.86 38.1 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.794 -0.639 . . . . 1.47 110.247 -176.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.495 ' NH1' ' HA ' ' A' ' 86' ' ' ASP . 35.3 ttm180 -86.51 113.76 22.7 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.683 -0.69 . . . . 3.36 110.479 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -83.21 173.14 11.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.042 -0.526 . . . . 1.1 109.606 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.3 m -63.27 -14.27 47.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 2.32 111.756 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -76.11 -9.15 58.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.816 0.341 . . . . 1.91 110.847 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.51 11.37 82.05 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.904 -0.665 . . . . 0.64 111.645 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.7 mt -103.7 156.94 17.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.09 -0.337 . . . . 1.23 110.09 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -105.77 135.63 46.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.034 0.445 . . . . 0.93 110.761 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -127.04 136.24 51.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.802 -0.636 . . . . 0.94 109.826 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -80.7 128.23 33.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.926 0.393 . . . . 1.5 110.485 -178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -149.18 165.6 29.4 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.901 -0.666 . . . . 0.22 111.859 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' HE2' ' HA2' ' A' ' 43' ' ' GLY . 52.3 tttm -107.56 124.73 50.36 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.564 0.221 . . . . 1.52 110.709 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.07 111.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.43 -0.35 . . . . 1.11 110.291 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -90.56 -34.43 15.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.033 0.444 . . . . 1.69 110.147 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 71' ' ' LEU . 74.6 ttt180 -146.79 134.86 21.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.782 -0.645 . . . . 3.86 109.986 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.554 HG21 ' SG ' ' A' ' 70' ' ' CYS . 9.1 p -107.98 135.16 47.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.584 -0.525 . . . . 1.59 109.584 174.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.425 ' OG ' ' HD3' ' A' ' 67' ' ' LYS . 35.8 t -123.66 108.49 12.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.968 0.413 . . . . 1.81 110.631 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 56.5 p -73.59 -20.58 60.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.07 -0.514 . . . . 1.64 110.321 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.9 m -73.2 -37.91 66.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.156 -0.475 . . . . 1.66 110.999 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.425 ' HD3' ' OG ' ' A' ' 64' ' ' SER . 4.3 mptp? -98.93 -6.09 29.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 2.76 111.48 -177.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 58.11 32.46 22.03 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.055 0.455 . . . . 2.05 110.749 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.651 ' HB3' HD21 ' A' ' 83' ' ' LEU . 19.1 p -141.72 167.03 23.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.81 -0.632 . . . . 1.89 110.469 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.554 ' SG ' HG21 ' A' ' 63' ' ' VAL . 75.7 m -130.01 139.92 50.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.086 -0.507 . . . . 1.8 110.396 177.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.425 HD22 ' HE2' ' A' ' 79' ' ' LYS . 57.9 tp -82.3 108.2 15.56 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.663 -0.866 . . . . 1.53 108.663 175.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.486 HG12 ' SG ' ' A' ' 48' ' ' CYS . 58.7 t -103.37 137.13 32.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 116.189 -0.459 . . . . 1.06 111.259 -173.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.8 m -101.31 110.27 22.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.548 -0.538 . . . . 1.08 109.548 174.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.458 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 98.7 m-85 -81.95 -177.31 6.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.366 -0.379 . . . . 0.35 111.142 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.3 -31.04 70.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.3 0.572 . . . . 2.31 110.681 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.481 ' HB2' ' HB2' ' B' ' 36' ' ' M3L . 29.9 t70 -77.36 0.73 21.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.426 -0.806 . . . . 1.84 110.57 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.3 t30 71.83 5.51 5.38 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.64 -0.709 . . . . 2.59 110.437 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.46 137.9 36.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.699 -0.682 . . . . 1.36 110.501 178.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 45.6 mtpt -103.08 131.86 49.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.575 -0.739 . . . . 2.25 110.01 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.458 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 73.6 m-85 -142.39 145.27 33.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.689 -0.232 . . . . 1.03 110.601 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -84.41 109.46 17.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.211 -0.449 . . . . 0.36 110.491 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.405 ' HB ' HD12 ' A' ' 87' ' ' ILE . 21.0 t -107.91 137.07 41.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.389 -0.597 . . . . 1.26 109.389 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.651 HD21 ' HB3' ' A' ' 69' ' ' SER . 95.5 mt -68.92 150.43 47.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.524 0.202 . . . . 1.69 110.733 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 51.5 m0 -56.18 -35.68 67.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 0.56 110.696 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -65.16 -16.39 63.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.841 -0.618 . . . . 3.29 111.859 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.495 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 36.4 m-20 -110.79 5.47 20.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.859 0.361 . . . . 0.48 110.819 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.423 HG21 ' HB ' ' A' ' 46' ' ' VAL . 66.5 mt -111.68 116.77 53.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.217 -0.447 . . . . 1.11 110.682 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -121.97 132.17 54.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.896 -0.593 . . . . 2.71 109.962 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 38' ' ' SER . 67.3 m80 -58.47 135.52 57.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.989 0.366 . . . . 1.85 111.989 -174.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.7 154.05 19.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 1.21 110.129 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.97 11.71 64.78 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.833 -0.699 . . . . 1.51 112.049 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.484 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 27.8 m -136.22 161.67 60.96 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 109.986 -0.376 . . . . 2.53 109.986 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 28.1 Cg_endo -63.65 -18.07 62.64 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.759 2.306 . . . . 3.08 112.294 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 93.41 -54.76 2.41 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.857 -0.687 . . . . 3.95 112.279 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 C--O 1.247 0.967 0 N-CA-C 109.146 -0.687 . . . . 5.9 109.146 179.281 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.567 0.223 . . . . 10.04 111.08 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 10.0 t -74.74 129.98 38.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.277 0.56 . . . . 9.03 111.136 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.64 -142.47 6.98 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 115.566 -0.743 . . . . 6.35 111.257 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.23 157.48 44.73 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.708 -0.758 . . . . 3.8 111.841 177.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.5 125.12 25.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.613 0.244 . . . . 3.42 110.557 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' M3L . . . . . 0.481 ' HB2' ' HB2' ' A' ' 76' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.058 -0.519 . . . . 2.36 109.668 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.468 ' HE2' ' HB2' ' B' ' 37' ' ' LYS . 0.5 OUTLIER -122.53 152.88 62.22 Favored Pre-proline 0 C--N 1.323 -0.578 0 C-N-CA 120.874 -0.33 . . . . 3.48 110.354 -178.814 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.93 136.52 61.91 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.262 1.975 . . . . 1.5 110.272 170.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 38.6 t60 -80.21 -19.5 46.85 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.899 -0.321 . . . . 2.4 110.815 -174.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' B' ' 39' ' ' HIS . 10.7 mpt_? 71.31 153.74 0.13 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.67 0.606 . . . . 5.27 110.559 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 41.0 t80 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.344 -0.836 . . . . 3.41 109.513 -178.609 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 110.276 -0.268 . . . . 2.43 110.276 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -77.13 115.7 17.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 4.38 110.113 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.43 135.43 49.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.133 0.492 . . . . 2.13 111.144 -176.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.547 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 40.4 m -134.83 144.33 47.53 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.526 -0.761 . . . . 1.14 109.424 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.509 ' HG2' HG21 ' A' ' 63' ' ' VAL . 30.6 mt-10 -70.24 134.52 48.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.944 0.402 . . . . 1.1 110.557 -177.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.8 -3.66 60.9 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.95 -0.643 . . . . 0.46 112.262 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.547 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 15.5 mt-30 -95.19 151.23 19.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.622 0.249 . . . . 1.23 110.398 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -90.44 137.32 32.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.896 -0.409 . . . . 1.69 109.896 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.447 HG12 HD12 ' A' ' 60' ' ' ILE . 16.1 m -139.85 163.16 25.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.264 0.554 . . . . 1.02 111.377 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.533 HD23 ' CE1' ' B' ' 39' ' ' HIS . 26.7 mt -102.39 111.09 23.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.446 -0.946 . . . . 1.2 108.446 176.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.449 ' SG ' HG12 ' A' ' 72' ' ' VAL . 59.1 m -98.89 123.21 43.01 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.874 0.369 . . . . 1.47 110.803 -175.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 60.2 ttt180 -89.32 110.85 21.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.964 -0.562 . . . . 3.36 110.074 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -82.37 178.26 8.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.069 -0.514 . . . . 1.1 110.079 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 t -63.22 -15.62 57.59 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.012 0.434 . . . . 2.32 111.675 -175.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -76.46 -8.13 56.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.053 0.454 . . . . 1.91 110.664 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.2 -2.3 86.72 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.954 -0.566 . . . . 0.64 112.134 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 89.4 mt -95.31 160.94 14.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.717 0.294 . . . . 1.23 110.816 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 43.8 m-85 -105.39 139.07 40.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.101 -0.5 . . . . 0.93 110.708 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -127.35 145.54 50.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.515 -0.766 . . . . 0.94 109.55 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -82.85 132.94 35.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.872 0.367 . . . . 1.5 110.923 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.81 168.64 33.92 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.956 -0.64 . . . . 0.22 112.02 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -112.09 128.04 56.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.45 0.167 . . . . 1.52 110.802 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.447 HD12 HG12 ' A' ' 46' ' ' VAL . 64.4 mt -64.77 120.75 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 1.11 110.249 178.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.414 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 14.1 tppt? -97.98 -43.81 6.92 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.139 -0.482 . . . . 1.69 110.367 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.478 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 65.6 ttt180 -145.93 133.67 21.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.235 -0.438 . . . . 3.86 110.737 -178.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.509 HG21 ' HG2' ' A' ' 42' ' ' GLU . 75.4 t -100.72 124.38 54.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.636 -0.257 . . . . 1.59 110.898 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.1 t -106.23 102.6 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.489 -0.56 . . . . 1.81 109.489 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.543 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 17.2 m -73.24 -28.79 62.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.788 -0.642 . . . . 1.64 110.975 -176.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 p -73.38 -41.21 63.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.987 -0.552 . . . . 1.66 111.642 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -91.9 -6.21 51.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.65 -0.25 . . . . 2.76 111.564 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 61.0 35.65 18.9 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.986 0.422 . . . . 2.05 110.854 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.7 p -136.21 160.05 39.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.975 -0.557 . . . . 1.89 110.833 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 93.9 m -128.67 138.1 51.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.078 -0.51 . . . . 1.8 110.366 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.431 HD12 ' HB3' ' A' ' 79' ' ' LYS . 61.9 tp -79.62 108.78 13.43 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.416 -0.957 . . . . 1.53 108.416 173.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.449 HG12 ' SG ' ' A' ' 48' ' ' CYS . 58.2 t -108.53 137.74 38.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 116.161 -0.472 . . . . 1.06 110.551 -174.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.3 m -103.01 108.7 19.97 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.657 -0.497 . . . . 1.08 109.657 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.421 ' CE2' ' HD2' ' A' ' 80' ' ' TYR . 98.5 m-85 -74.99 176.29 7.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.274 -0.421 . . . . 0.35 111.178 -177.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.2 -22.13 66.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 2.31 111.788 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.428 ' HB2' ' HB2' ' B' ' 36' ' ' M3L . 31.0 t70 -86.89 6.13 33.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.96 0.41 . . . . 1.84 110.29 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 69.11 19.69 7.91 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.142 0.972 . . . . 2.59 109.492 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -80.51 133.03 35.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.15 -0.932 . . . . 1.36 109.75 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HB3' HD12 ' A' ' 71' ' ' LEU . 53.3 mtpt -108.77 130.32 55.38 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.11 -0.33 . . . . 2.25 110.11 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.681 ' HH ' HM21 ' B' ' 36' ' ' M3L . 80.0 m-85 -147.1 156.59 43.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 1.03 110.628 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -97.85 108.72 21.49 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.686 -0.487 . . . . 0.36 109.686 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.3 t -105.42 136.43 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.396 -0.366 . . . . 1.26 110.106 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.58 143.26 57.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.303 -0.408 . . . . 1.69 110.696 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.543 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 50.4 m0 -55.92 -34.58 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.56 111.589 -177.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -61.7 -28.4 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 3.29 111.573 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -101.22 3.46 40.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.39 -0.368 . . . . 0.48 111.124 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.8 mt -102.38 119.73 51.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.262 0.553 . . . . 1.11 110.829 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -110.36 165.72 11.55 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.3 -1.0 . . . . 2.71 108.3 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.528 ' O ' HG23 ' A' ' 92' ' ' VAL . 38.1 m80 -80.03 147.82 31.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.302 0.501 . . . . 1.85 110.407 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.38 127.81 32.56 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.948 -0.301 . . . . 1.21 110.757 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.28 16.39 47.09 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.695 -0.765 . . . . 1.51 113.009 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 89' ' ' HIS . 20.2 m -107.03 135.24 19.6 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.865 0.332 . . . . 2.53 110.375 177.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.61 -44.11 4.8 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.607 2.205 . . . . 3.08 112.771 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.2 88.05 0.12 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.578 -0.82 . . . . 3.95 112.28 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 119.154 -0.45 . . . . 5.9 110.639 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.84 0.352 . . . . 10.04 110.547 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 7.7 m -72.76 -28.8 62.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.122 -0.49 . . . . 9.03 110.642 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.56 -145.74 4.77 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 121.014 -0.612 . . . . 6.35 111.795 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.85 -157.49 29.75 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.05 -0.595 . . . . 3.8 111.895 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.07 117.4 53.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.814 0.34 . . . . 3.42 110.637 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' M3L . . . . . 0.681 HM21 ' HH ' ' A' ' 80' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.178 0.513 . . . . 2.36 109.9 177.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -134.72 150.86 74.65 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 115.803 -0.635 . . . . 3.48 109.944 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -70.13 141.07 42.77 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.233 1.955 . . . . 1.5 111.717 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.533 ' CE1' HD23 ' A' ' 47' ' ' LEU . 42.4 p-80 -96.8 9.2 42.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.983 -0.553 . . . . 2.4 110.374 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.69 97.52 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.42 -0.809 . . . . 5.27 111.094 -177.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 29.3 t80 . . . . . 0 C--O 1.244 0.78 0 CA-C-N 116.067 -0.515 . . . . 3.41 109.773 177.863 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 121.119 0.485 . . . . 1.49 111.011 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.6 m -132.55 154.4 50.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.218 -0.901 . . . . 0.48999999999999999 109.467 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -70.64 139.98 51.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.919 0.39 . . . . 1.1000000000000001 111.038 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.5 -7.95 77.35 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.013 -0.613 . . . . 0.46000000000000002 112.71 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -76.59 136.24 39.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.82 0.343 . . . . 1.0900000000000001 110.855 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 96.8 m-85 -85.27 125.28 32.77 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.342 -0.984 . . . . 0.95999999999999996 108.342 170.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 m -133.76 161.18 41.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.31 0.576 . . . . 0.20999999999999999 111.581 -173.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 55' ' ' TYR . 84.0 mt -104.28 110.56 22.83 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.127 -0.942 . . . . 0.54000000000000004 108.718 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.508 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 62.7 m -92.64 122.95 35.56 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.933 -0.576 . . . . 0.87 109.827 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.483 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . 32.1 ttt180 -85.16 110.02 18.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.733 -0.667 . . . . 2.7599999999999998 110.329 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -80.74 178.42 8.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.517 -0.765 . . . . 0.88 110.274 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -70.9 -0.75 9.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.21 0.529 . . . . 1.6899999999999999 111.741 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -85.46 -12.46 51.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.541 . . . . 1.9099999999999999 110.355 174.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.65 -2.23 85.97 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.401 -0.68 . . . . 0.62 111.401 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.5 mt -96.5 160.33 14.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.345 -0.428 . . . . 0.63 110.295 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.551 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . 84.4 m-85 -105.35 139.69 39.6 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.107 -0.497 . . . . 0.55000000000000004 110.434 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.02 142.78 49.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.53 -0.759 . . . . 0.55000000000000004 110.055 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.3 tp -84.67 133.65 34.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.784 0.326 . . . . 0.83999999999999997 110.83 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.25 169.14 36.04 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.023 -0.608 . . . . 0.20000000000000001 112.172 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.5 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 42.7 tttm -114.47 126.84 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.645 0.26 . . . . 0.91000000000000003 110.792 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.1 mt -68.76 116.51 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.33000000000000002 110.263 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -95.01 -42.05 8.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.045 0.45 . . . . 1.0800000000000001 110.318 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -137.24 137.0 38.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.817 -0.629 . . . . 3.23 110.12 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.454 HG23 ' SG ' ' A' ' 70' ' ' CYS . 9.2 p -117.92 138.86 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 110.091 -0.337 . . . . 1.0700000000000001 110.091 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -134.9 114.67 12.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.09 0.472 . . . . 1.26 110.959 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.596 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 6.1 p -69.22 -44.45 72.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.613 -0.721 . . . . 1.26 112.316 -175.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.4 m -65.2 -39.1 92.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.8 0.333 . . . . 1.25 111.202 -177.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -76.41 -22.12 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.361 -0.381 . . . . 2.2999999999999998 111.218 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 63.27 29.77 15.81 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.382 0.61 . . . . 1.6699999999999999 110.396 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.3 m -139.62 157.51 45.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.716 -0.674 . . . . 1.23 110.114 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' A' ' 63' ' ' VAL . 73.2 m -121.44 141.02 51.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.242 -0.435 . . . . 1.05 110.245 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 ' HB3' ' A' ' 79' ' ' LYS . 53.5 tp -82.36 108.15 15.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.746 -0.835 . . . . 0.82999999999999996 108.746 174.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 54.5 t -110.87 137.75 41.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.826 -0.625 . . . . 0.20999999999999999 110.643 -174.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 78' ' ' SER . 76.5 m -102.43 109.43 21.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.824 -0.436 . . . . 0.34999999999999998 109.824 174.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.514 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 99.4 m-85 -74.73 179.71 4.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.5 . . . . 0.29999999999999999 111.249 -176.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.43 -30.4 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.843 -0.617 . . . . 2.3100000000000001 111.499 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -90.1 17.44 6.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.024 0.44 . . . . 1.8400000000000001 110.538 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 69.24 13.74 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.448 -0.796 . . . . 1.95 111.931 172.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 73' ' ' THR . 62.4 p -83.24 140.66 32.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.282 -0.266 . . . . 1.3600000000000001 110.282 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.646 ' HB3' HD11 ' A' ' 71' ' ' LEU . 38.6 mtmm -107.31 130.47 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.995 0.426 . . . . 1.6299999999999999 110.475 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.514 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 64.5 m-85 -141.42 154.23 45.48 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.878 -0.601 . . . . 0.76000000000000001 110.476 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -95.69 108.33 20.62 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.492 -0.559 . . . . 0.31 109.492 173.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.3 t -105.46 136.77 38.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.897 -0.592 . . . . 0.44 109.888 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.422 ' O ' HG13 ' A' ' 87' ' ' ILE . 52.1 mt -61.86 144.18 55.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.452 -0.34 . . . . 1.02 110.77 177.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.596 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 53.5 m0 -57.33 -31.26 65.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.47999999999999998 111.081 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' ' 83' ' ' LEU . 21.4 ptmt -69.62 -16.04 63.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.02 -0.536 . . . . 2.9300000000000002 111.352 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -107.46 0.53 22.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.89 0.376 . . . . 0.47999999999999998 111.011 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 83' ' ' LEU . 70.2 mt -105.34 118.43 52.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.196 0.522 . . . . 0.33000000000000002 110.911 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -112.14 148.53 33.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.673 -0.694 . . . . 2.1899999999999999 109.512 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -73.15 146.42 45.67 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.112 -0.329 . . . . 1.3300000000000001 110.112 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 120.802 0.334 . . . . 0.56999999999999995 110.262 177.191 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.574 HD12 HD11 ' A' ' 60' ' ' ILE . 3.0 mm? . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.141 0.495 . . . . 1.49 111.157 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.477 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 54.3 m -139.83 142.06 36.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.659 -0.7 . . . . 0.48999999999999999 109.441 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.563 ' HA ' HG22 ' A' ' 60' ' ' ILE . 72.5 mt-10 -71.93 142.71 49.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.979 0.419 . . . . 1.1000000000000001 111.256 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.506 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 89.38 17.44 55.26 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.587 -0.733 . . . . 0.46000000000000002 112.378 -177.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.477 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 12.4 mt-30 -118.63 155.97 30.04 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.305 -0.257 . . . . 1.0900000000000001 110.305 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -96.83 131.3 43.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.264 0.554 . . . . 0.95999999999999996 110.746 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.554 ' HB ' ' O ' ' A' ' 88' ' ' GLN . 24.5 m -134.4 155.34 38.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.499 -0.773 . . . . 0.20999999999999999 110.889 -176.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.3 mt -98.38 110.69 23.24 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.572 -0.899 . . . . 0.54000000000000004 108.572 170.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.693 ' HB3' ' HE1' ' A' ' 74' ' ' PHE . 53.7 t -96.21 121.38 37.92 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.737 -0.665 . . . . 0.87 110.097 -175.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -84.18 137.37 33.55 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.827 -0.624 . . . . 2.7599999999999998 109.936 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.622 ' HB2' ' HE2' ' A' ' 56' ' ' TYR . 7.9 t-105 -100.22 168.52 9.75 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.836 -0.62 . . . . 0.88 109.507 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 p -66.93 -9.46 38.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 1.6899999999999999 111.423 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.4 3.76 51.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 1.9099999999999999 111.205 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.92 25.22 64.98 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.938 -0.648 . . . . 0.62 112.925 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -122.0 156.21 33.95 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.847 -0.427 . . . . 0.63 109.847 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.72 148.66 28.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.783 0.325 . . . . 0.55000000000000004 110.759 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.622 ' HE2' ' HB2' ' A' ' 50' ' ' TRP . 66.0 m-85 -137.43 131.78 32.45 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.989 -0.551 . . . . 0.55000000000000004 110.193 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 tp -78.15 136.0 37.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.93 0.395 . . . . 0.83999999999999997 110.843 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.2 164.75 34.54 Favored Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 120.955 -0.641 . . . . 0.20000000000000001 112.098 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.506 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 77.4 tttt -103.61 126.45 50.76 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.411 -0.218 . . . . 0.91000000000000003 110.411 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.685 HG23 ' SG ' ' A' ' 70' ' ' CYS . 73.8 mt -60.19 111.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.922 0.391 . . . . 0.33000000000000002 110.115 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -88.83 -45.66 9.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.816 -0.629 . . . . 1.0800000000000001 110.015 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.415 ' HA ' ' CD ' ' A' ' 42' ' ' GLU . 67.5 ttt180 -149.75 126.77 11.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.535 -0.757 . . . . 3.23 110.016 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.518 HG12 ' HG3' ' A' ' 42' ' ' GLU . 11.0 p -110.67 133.01 57.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.128 0.49 . . . . 1.0700000000000001 110.534 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.8 p -112.05 105.15 13.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.093 -0.503 . . . . 1.26 110.545 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.668 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 11.0 p -71.8 -31.3 66.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.912 -0.585 . . . . 1.26 111.433 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.5 m -69.55 -33.52 72.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.231 0.539 . . . . 1.25 110.62 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -97.37 -4.77 37.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.719 -0.673 . . . . 2.2999999999999998 111.195 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 54.9 31.35 15.66 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.029 -0.532 . . . . 1.6699999999999999 111.49 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.538 ' HB3' HD23 ' A' ' 83' ' ' LEU . 1.4 p -138.07 163.34 31.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.958 -0.565 . . . . 1.23 110.214 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.685 ' SG ' HG23 ' A' ' 60' ' ' ILE . 44.1 t -133.73 141.83 47.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.106 0.479 . . . . 1.05 111.436 -176.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.7 tp -88.5 108.85 19.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.351 -0.841 . . . . 0.82999999999999996 109.168 172.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 37.1 t -104.32 132.22 51.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.061 -0.518 . . . . 0.20999999999999999 110.699 -175.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.2 m -96.79 96.12 8.35 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.334 -0.617 . . . . 0.34999999999999998 109.334 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.693 ' HE1' ' HB3' ' A' ' 48' ' ' CYS . 92.8 m-85 -71.61 171.75 10.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.118 -0.492 . . . . 0.29999999999999999 111.258 -173.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.32 -20.07 62.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.399 0.618 . . . . 2.3100000000000001 109.929 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 78' ' ' SER . 36.7 t70 -77.9 -1.53 32.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.29 -0.868 . . . . 1.8400000000000001 110.602 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.8 t30 76.08 -31.62 0.2 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.77 0.828 . . . . 1.95 110.937 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 76' ' ' ASP . 19.6 m -59.12 133.86 56.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.069 -0.514 . . . . 1.3600000000000001 110.577 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 47.5 mtpt -110.08 131.16 55.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.827 -0.624 . . . . 1.6299999999999999 109.924 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -136.15 156.98 47.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.716 0.293 . . . . 0.76000000000000001 110.786 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -97.61 121.69 39.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.871 -0.604 . . . . 0.31 109.917 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.551 HG21 ' SG ' ' A' ' 48' ' ' CYS . 21.4 t -129.15 144.4 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.472 -0.331 . . . . 0.44 110.35 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 69' ' ' SER . 96.3 mt -64.22 150.89 44.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.864 0.364 . . . . 1.02 110.799 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.668 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 53.8 m0 -64.61 -21.05 66.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.47999999999999998 111.606 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -64.89 -13.91 58.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.41 -0.359 . . . . 2.9300000000000002 111.724 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -117.74 -9.24 10.75 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.762 0.282 . . . . 0.47999999999999998 111.762 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.536 HD11 ' HB ' ' A' ' 82' ' ' VAL . 77.1 mt -98.07 117.63 43.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.049 0.452 . . . . 0.33000000000000002 111.158 -175.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.554 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 63.0 mt-30 -117.96 165.28 13.89 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.852 -0.613 . . . . 2.1899999999999999 109.786 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -90.58 142.6 27.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.726 0.298 . . . . 1.3300000000000001 111.494 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.389 . . . . 0.56999999999999995 110.232 176.763 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.051 0.453 . . . . 1.49 110.551 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.401 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 7.9 m -131.84 147.02 52.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.678 -0.692 . . . . 0.48999999999999999 109.769 -177.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.473 ' OE2' ' HA ' ' A' ' 62' ' ' ARG . 27.6 mt-10 -73.59 152.64 40.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.812 0.339 . . . . 1.1000000000000001 110.75 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.486 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 88.43 -8.84 77.73 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.46000000000000002 112.194 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 76.7 mt-30 -86.76 144.08 27.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.845 0.355 . . . . 1.0900000000000001 110.769 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -90.8 122.93 33.95 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.557 -0.905 . . . . 0.95999999999999996 108.557 174.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 m -128.68 152.77 37.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.248 0.547 . . . . 0.20999999999999999 111.556 -175.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.541 ' HG ' ' HB2' ' A' ' 90' ' ' ALA . 56.8 mt -87.51 111.11 20.85 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.212 -0.904 . . . . 0.54000000000000004 108.893 175.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.518 ' SG ' HG11 ' A' ' 72' ' ' VAL . 57.0 m -100.76 118.1 36.18 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.262 -0.426 . . . . 0.87 110.231 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.616 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 70.4 ttt180 -73.92 105.25 5.1 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.512 0.672 . . . . 2.7599999999999998 109.778 177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -87.43 -179.01 6.29 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.138 -0.937 . . . . 0.88 110.623 -172.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.9 m -64.36 -16.33 62.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.982 -0.553 . . . . 1.6899999999999999 112.291 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -76.1 -10.16 59.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 1.9099999999999999 110.454 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.99 0.49 85.52 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.775 -0.726 . . . . 0.62 111.494 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.99 170.91 7.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.522 -0.339 . . . . 0.63 110.169 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -105.14 136.31 44.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.961 0.41 . . . . 0.55000000000000004 110.137 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -128.19 133.22 48.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.781 -0.645 . . . . 0.55000000000000004 110.444 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.8 tp -73.91 128.84 36.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.081 0.467 . . . . 0.83999999999999997 111.027 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -147.26 164.55 28.67 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.448 -0.661 . . . . 0.20000000000000001 111.448 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.486 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 82.7 tttt -105.25 125.68 51.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.951 0.375 . . . . 0.91000000000000003 111.476 -178.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.459 HG23 ' HB3' ' A' ' 70' ' ' CYS . 65.8 mt -70.96 116.24 12.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.33000000000000002 110.27 177.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -100.25 -25.66 14.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.575 0.226 . . . . 1.0800000000000001 110.711 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.473 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 64.9 ttt180 -149.37 149.21 30.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.322 -0.399 . . . . 3.23 110.008 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.3 t -120.67 126.89 75.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.683 0.278 . . . . 1.0700000000000001 110.657 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.5 t -108.23 101.84 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.242 -0.651 . . . . 1.26 109.242 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.412 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 15.5 m -74.65 -30.44 61.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.979 -0.555 . . . . 1.26 111.65 -174.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.2 p -72.09 -31.06 65.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.188 0.518 . . . . 1.25 111.073 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -96.48 -6.86 36.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.955 -0.566 . . . . 2.2999999999999998 110.942 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 55.65 42.96 28.9 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.399 0.618 . . . . 1.6699999999999999 110.237 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.532 ' HB2' HD23 ' A' ' 83' ' ' LEU . 23.2 t -144.14 146.74 32.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.547 -0.751 . . . . 1.23 109.94 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.459 ' HB3' HG23 ' A' ' 60' ' ' ILE . 70.8 m -116.46 145.47 43.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.895 0.379 . . . . 1.05 110.947 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' A' ' 79' ' ' LYS . 45.1 tp -79.73 107.98 12.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.286 -1.005 . . . . 0.82999999999999996 108.286 171.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.518 HG11 ' SG ' ' A' ' 48' ' ' CYS . 61.5 t -112.91 131.15 65.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.993 -0.549 . . . . 0.20999999999999999 110.793 -174.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.419 ' OG1' ' HG2' ' A' ' 79' ' ' LYS . 20.2 m -101.29 106.05 17.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.526 -0.546 . . . . 0.34999999999999998 109.526 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.452 ' HE1' ' HB2' ' A' ' 48' ' ' CYS . 94.3 m-85 -71.59 176.12 5.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.56 . . . . 0.29999999999999999 110.333 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -59.11 -20.2 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.232 0.539 . . . . 2.3100000000000001 110.905 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.38 -1.12 28.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.536 -0.756 . . . . 1.8400000000000001 110.497 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.3 m120 69.13 7.25 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.451 -0.795 . . . . 1.95 111.056 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.9 m -97.0 135.27 39.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.507 -0.769 . . . . 1.3600000000000001 109.677 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HB3' HD11 ' A' ' 71' ' ' LEU . 53.3 mttp -96.67 131.7 43.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.474 -0.33 . . . . 1.6299999999999999 110.899 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.429 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 84.2 m-85 -139.85 159.16 42.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.96 -0.564 . . . . 0.76000000000000001 109.806 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -97.29 112.37 24.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.112 0.482 . . . . 0.31 110.472 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' A' ' 48' ' ' CYS . 18.8 t -105.32 139.09 27.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.63 . . . . 0.44 109.413 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' A' ' 69' ' ' SER . 94.7 mt -72.74 147.35 45.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.706 -0.224 . . . . 1.02 110.425 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.412 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 46.7 m0 -57.16 -26.07 59.98 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.183 0.516 . . . . 0.47999999999999998 110.403 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -67.47 -21.65 65.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.276 -0.875 . . . . 2.9300000000000002 111.059 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 45.5 m-20 -112.32 1.92 16.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.47999999999999998 110.75 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.3 mt -101.63 126.88 55.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.14 -0.482 . . . . 0.33000000000000002 110.674 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -124.09 122.43 37.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.071 -0.513 . . . . 2.1899999999999999 109.798 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -56.86 129.12 40.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.52 -0.309 . . . . 1.3300000000000001 110.748 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.541 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.232 -0.44 . . . . 0.56999999999999995 110.476 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 121.037 0.446 . . . . 1.49 110.45 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -141.48 156.61 45.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.734 -0.666 . . . . 0.48999999999999999 109.746 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -66.85 119.72 12.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.789 0.328 . . . . 1.1000000000000001 110.86 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.59 4.01 34.71 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.896 -0.669 . . . . 0.46000000000000002 112.78 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -97.34 148.32 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.774 0.287 . . . . 1.0900000000000001 110.81 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -93.05 131.12 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.024 -0.535 . . . . 0.95999999999999996 109.574 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.7 m -136.61 158.81 37.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.151 0.5 . . . . 0.20999999999999999 111.491 -175.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.3 mt -97.59 111.23 23.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.402 -0.817 . . . . 0.54000000000000004 109.058 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.534 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 58.8 m -98.84 124.58 43.84 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.049 -0.523 . . . . 0.87 110.43 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.601 ' NH1' ' HA ' ' A' ' 86' ' ' ASP . 33.3 ttm180 -85.74 118.68 25.39 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.622 -0.717 . . . . 2.7599999999999998 110.113 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -93.52 175.71 6.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.887 -0.597 . . . . 0.88 109.933 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 m -56.51 -22.78 35.18 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.879 0.472 . . . . 1.6899999999999999 112.241 -175.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.13 -6.21 50.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.219 -0.446 . . . . 1.9099999999999999 111.654 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.44 12.58 80.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.62 111.539 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -108.53 156.14 19.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.497 -0.352 . . . . 0.63 110.454 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -105.07 133.27 50.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.19 -0.459 . . . . 0.55000000000000004 110.527 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -119.64 152.74 36.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.552 -0.749 . . . . 0.55000000000000004 110.157 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.0 tp -92.5 126.61 37.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.888 0.375 . . . . 0.83999999999999997 110.885 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.607 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -153.16 163.62 30.64 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.654 -0.784 . . . . 0.20000000000000001 112.483 179.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -111.3 127.09 55.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.76 0.314 . . . . 0.91000000000000003 110.854 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.68 114.6 4.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.069 -0.514 . . . . 0.33000000000000002 110.593 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.517 ' HB3' HD12 ' A' ' 71' ' ' LEU . 3.5 tppp? -94.26 -42.32 8.99 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.885 -0.413 . . . . 1.0800000000000001 109.885 178.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 93.8 mtt180 -127.51 152.86 47.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.159 -0.473 . . . . 3.23 109.957 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.2 p -130.26 134.22 62.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.254 0.55 . . . . 1.0700000000000001 110.732 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.3 t -121.37 105.58 10.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.757 -0.656 . . . . 1.26 109.801 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.4 p -80.12 -32.54 39.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.34 -0.391 . . . . 1.26 110.989 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.404 ' HB2' ' HD2' ' A' ' 67' ' ' LYS . 14.4 m -67.13 -41.73 85.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.999 0.428 . . . . 1.25 110.848 -178.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -94.46 -4.15 48.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 2.2999999999999998 110.556 -179.487 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 53.0 61.45 3.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.682 -0.69 . . . . 1.6699999999999999 110.561 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.425 ' HB3' HD23 ' A' ' 83' ' ' LEU . 27.3 p -151.15 160.73 43.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.146 -0.934 . . . . 1.23 109.731 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.4 m -136.03 139.83 43.4 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.659 0.266 . . . . 1.05 110.611 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 61' ' ' LYS . 3.4 tm? -80.63 107.82 13.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.693 -1.225 . . . . 0.82999999999999996 107.693 173.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.48 HG21 ' SG ' ' A' ' 48' ' ' CYS . 62.4 t -105.01 129.94 56.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.936 -0.575 . . . . 0.20999999999999999 110.316 -176.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.8 m -106.38 101.49 10.96 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.699 -0.852 . . . . 0.34999999999999998 108.699 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.607 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 95.4 m-85 -69.47 173.75 5.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.404 -0.816 . . . . 0.29999999999999999 111.883 -171.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.23 -16.16 63.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.492 0.663 . . . . 2.3100000000000001 110.3 174.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.95 -3.67 54.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.251 -0.886 . . . . 1.8400000000000001 110.327 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.7 t30 74.01 -3.2 2.58 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.276 -0.874 . . . . 1.95 110.871 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 p -73.1 139.5 46.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.954 0.407 . . . . 1.3600000000000001 110.274 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HE3' HD11 ' A' ' 71' ' ' LEU . 25.4 mtpp -111.47 130.36 55.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.081 -0.509 . . . . 1.6299999999999999 109.876 -178.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -146.84 145.68 29.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.625 -0.261 . . . . 0.76000000000000001 110.862 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -87.11 108.1 18.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.195 -0.668 . . . . 0.31 109.195 172.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.434 ' HB ' HD11 ' A' ' 87' ' ' ILE . 19.0 t -104.68 142.93 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.366 -0.605 . . . . 0.44 109.366 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 69' ' ' SER . 65.5 mt -79.53 152.12 30.34 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.046 -0.353 . . . . 1.02 110.046 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 48.4 m0 -60.84 -26.88 67.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 0.47999999999999998 110.903 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -68.13 -7.34 29.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 2.9300000000000002 111.977 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.601 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 16.3 m-20 -128.82 9.76 5.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.652 0.263 . . . . 0.47999999999999998 111.302 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.434 HD11 ' HB ' ' A' ' 82' ' ' VAL . 70.3 mt -111.21 120.9 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.903 0.383 . . . . 0.33000000000000002 111.116 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -110.73 165.7 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.654 -0.703 . . . . 2.1899999999999999 109.469 176.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -85.67 143.95 28.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.684 0.278 . . . . 1.3300000000000001 110.928 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.404 . . . . 0.56999999999999995 110.505 178.409 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' N ' HD22 ' A' ' 40' ' ' LEU . 2.4 mm? . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.795 -0.446 . . . . 1.49 109.795 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.0 m -148.5 149.48 31.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.827 -0.434 . . . . 0.48999999999999999 109.827 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -65.15 144.93 56.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.895 0.379 . . . . 1.1000000000000001 110.802 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.495 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 88.04 10.86 68.41 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.837 -0.697 . . . . 0.46000000000000002 112.71 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -111.45 145.91 38.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.763 -0.257 . . . . 1.0900000000000001 110.677 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -87.56 134.83 33.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.888 0.375 . . . . 0.95999999999999996 110.28 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.411 HG23 ' SG ' ' A' ' 48' ' ' CYS . 13.0 m -142.24 153.16 18.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.019 -0.537 . . . . 0.20999999999999999 111.231 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 55' ' ' TYR . 78.8 mt -91.99 110.88 22.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.421 -0.955 . . . . 0.54000000000000004 108.421 172.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.589 ' SG ' HG21 ' A' ' 72' ' ' VAL . 57.5 m -100.83 118.61 37.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.894 0.378 . . . . 0.87 110.643 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.623 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 69.6 ttt-85 -79.77 129.36 34.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.629 -0.714 . . . . 2.7599999999999998 110.526 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -96.95 174.76 6.62 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.289 -0.634 . . . . 0.88 109.289 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -58.92 -21.23 57.56 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.07 0.462 . . . . 1.6899999999999999 111.696 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.15 -10.04 59.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.342 -0.39 . . . . 1.9099999999999999 110.943 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.35 -1.96 80.27 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.039 -0.6 . . . . 0.62 112.291 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.53 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 93.9 mt -88.93 151.81 22.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.408 -0.219 . . . . 0.63 110.408 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.49 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . 54.9 m-85 -104.85 137.97 41.82 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.052 -0.722 . . . . 0.55000000000000004 109.052 176.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -125.26 138.9 54.1 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.636 0.255 . . . . 0.55000000000000004 110.523 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.44 131.28 40.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.044 -0.526 . . . . 0.83999999999999997 110.562 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.97 170.56 36.12 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.755 -0.657 . . . . 0.20000000000000001 111.719 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 74.9 tttt -115.85 125.16 52.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.581 0.229 . . . . 0.91000000000000003 110.693 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.24 114.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.33000000000000002 110.359 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -96.18 -34.97 11.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.814 -0.63 . . . . 1.0800000000000001 109.858 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.472 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 97.9 mtt180 -142.01 152.05 43.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.032 -0.531 . . . . 3.23 109.899 176.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 p -126.47 125.53 67.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.849 0.357 . . . . 1.0700000000000001 110.152 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -113.96 104.42 12.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.041 0.448 . . . . 1.26 110.251 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.613 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 13.1 p -69.55 -40.92 76.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.979 -0.555 . . . . 1.26 111.393 -178.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.0 m -69.44 -21.21 63.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.75 0.31 . . . . 1.25 111.654 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -106.76 -1.45 22.6 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.092 -0.243 . . . . 2.2999999999999998 111.054 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 53.3 36.75 23.59 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.544 0.528 . . . . 1.6699999999999999 111.501 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.662 ' HB3' HD23 ' A' ' 83' ' ' LEU . 1.5 p -147.93 161.21 41.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.947 -0.569 . . . . 1.23 110.718 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.7 m -125.91 147.87 49.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.285 -0.416 . . . . 1.05 110.633 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 62' ' ' ARG . 61.3 tp -88.37 108.08 19.16 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.434 -0.95 . . . . 0.82999999999999996 108.434 174.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.589 HG21 ' SG ' ' A' ' 48' ' ' CYS . 48.4 t -106.6 129.88 59.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.112 -0.494 . . . . 0.20999999999999999 111.206 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.6 m -93.43 102.21 14.43 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.115 -0.698 . . . . 0.34999999999999998 109.115 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.616 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 97.4 m-85 -77.54 178.03 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.118 0.485 . . . . 0.29999999999999999 111.566 -174.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.83 -16.32 64.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.579 -0.737 . . . . 2.3100000000000001 110.427 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 34.4 t70 -79.48 -4.37 50.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.374 -0.83 . . . . 1.8400000000000001 109.822 175.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 76' ' ' ASP . 24.1 t-20 77.76 -31.28 0.16 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.129 0.972 . . . . 1.95 111.632 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -61.94 137.11 58.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.794 0.331 . . . . 1.3600000000000001 110.63 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 47.7 mtmt -99.37 131.78 45.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.12 -0.491 . . . . 1.6299999999999999 110.275 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.616 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 99.3 m-85 -130.87 145.14 51.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.415 -0.357 . . . . 0.76000000000000001 110.395 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -84.85 109.14 17.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.199 -0.455 . . . . 0.31 110.074 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 48' ' ' CYS . 22.6 t -108.87 140.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.052 -0.522 . . . . 0.44 109.795 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.662 HD23 ' HB3' ' A' ' 69' ' ' SER . 95.9 mt -70.9 149.53 46.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.558 0.218 . . . . 1.02 110.593 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.613 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 54.2 m0 -58.28 -28.39 64.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.47999999999999998 111.248 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -68.64 -21.24 64.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.043 -0.526 . . . . 2.9300000000000002 111.26 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.623 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 30.1 m-20 -105.2 -7.63 18.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.383 -0.371 . . . . 0.47999999999999998 110.848 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 66.4 mt -95.42 115.9 35.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.29 0.567 . . . . 0.33000000000000002 110.976 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -112.38 151.0 30.31 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.105 -0.702 . . . . 2.1899999999999999 109.105 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -66.58 134.85 53.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.653 0.263 . . . . 1.3300000000000001 110.588 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 109.538 -0.542 . . . . 0.56999999999999995 109.538 175.195 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.265 0.555 . . . . 1.49 111.191 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.496 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 16.4 m -148.64 147.41 28.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.48999999999999999 109.662 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.515 ' OE2' ' HA ' ' A' ' 62' ' ' ARG . 29.0 mt-10 -73.3 151.91 41.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.737 0.303 . . . . 1.1000000000000001 110.757 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.518 ' HA2' ' HE2' ' A' ' 59' ' ' LYS . . . 79.39 13.57 82.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.124 -0.56 . . . . 0.46000000000000002 111.986 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.496 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 79.6 mt-30 -110.43 156.57 20.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.735 0.302 . . . . 1.0900000000000001 110.39 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 81.5 m-85 -99.42 129.76 45.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.915 -0.584 . . . . 0.95999999999999996 109.611 178.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.423 HG23 ' SG ' ' A' ' 48' ' ' CYS . 17.4 m -135.77 153.85 33.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.971 -0.559 . . . . 0.20999999999999999 111.56 -173.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.9 mt -92.97 110.73 22.2 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.508 -0.923 . . . . 0.54000000000000004 108.508 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.503 ' SG ' HG21 ' A' ' 72' ' ' VAL . 60.9 m -103.55 121.93 43.9 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.176 -0.466 . . . . 0.87 110.454 -175.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.544 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 25.0 ttt180 -82.05 115.97 21.43 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.943 -0.571 . . . . 2.7599999999999998 110.303 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -77.76 159.99 28.69 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.021 -0.733 . . . . 0.88 109.021 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 m -68.33 -0.03 4.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.196 0.522 . . . . 1.6899999999999999 111.502 -175.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -83.88 -15.71 47.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.159 0.504 . . . . 1.9099999999999999 110.215 175.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.82 2.76 55.16 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.884 -0.674 . . . . 0.62 112.528 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.2 mt -106.12 159.82 15.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.198 -0.297 . . . . 0.63 110.198 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 46.1 m-85 -106.37 144.01 33.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.879 0.371 . . . . 0.55000000000000004 110.47 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -130.21 155.48 46.19 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.826 -0.625 . . . . 0.55000000000000004 109.869 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.9 tp -96.24 136.36 36.82 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.119 -0.326 . . . . 0.83999999999999997 110.119 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.88 169.59 35.2 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.662 -0.78 . . . . 0.20000000000000001 112.144 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.518 ' HE2' ' HA2' ' A' ' 43' ' ' GLY . 45.3 tttm -116.61 124.9 50.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.648 0.261 . . . . 0.91000000000000003 110.341 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.16 113.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.33000000000000002 110.55 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -87.34 -40.11 14.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.92 -0.582 . . . . 1.0800000000000001 109.944 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.515 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 66.8 ttt180 -146.31 133.99 21.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.874 -0.603 . . . . 3.23 110.674 -177.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.497 HG23 ' SG ' ' A' ' 70' ' ' CYS . 10.8 p -105.41 141.73 20.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.436 -0.347 . . . . 1.0700000000000001 110.513 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.9 m -137.19 105.28 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.104 0.478 . . . . 1.26 110.623 176.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.457 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 14.0 p -71.72 -37.39 70.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.704 -0.68 . . . . 1.26 112.304 -175.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.1 m -65.71 -23.81 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.881 0.326 . . . . 1.25 111.881 -173.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -108.31 -1.59 19.94 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.103 -0.239 . . . . 2.2999999999999998 110.661 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 51.06 47.14 25.4 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.985 -0.552 . . . . 1.6699999999999999 111.03 -176.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -143.63 150.43 38.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.707 -0.679 . . . . 1.23 109.845 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.497 ' SG ' HG23 ' A' ' 63' ' ' VAL . 73.2 m -127.94 140.13 52.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.948 0.404 . . . . 1.05 110.77 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 79' ' ' LYS . 57.4 tp -80.03 108.63 13.77 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.821 -0.807 . . . . 0.82999999999999996 108.821 174.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.503 HG21 ' SG ' ' A' ' 48' ' ' CYS . 53.9 t -105.4 134.95 45.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.243 -0.435 . . . . 0.20999999999999999 110.998 -175.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.1 m -96.72 105.71 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.145 -0.687 . . . . 0.34999999999999998 109.145 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.707 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 98.2 m-85 -78.23 177.83 8.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.034 0.445 . . . . 0.29999999999999999 111.627 -174.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -57.25 -28.64 63.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.485 -0.779 . . . . 2.3100000000000001 111.882 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -91.55 23.07 3.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.707 0.289 . . . . 1.8400000000000001 110.516 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.4 p30 53.84 21.78 2.94 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.755 1.222 . . . . 1.95 112.685 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 m -99.42 139.5 34.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.1 -0.333 . . . . 1.3600000000000001 110.1 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.759 ' HB3' HD11 ' A' ' 71' ' ' LEU . 98.0 mttt -100.66 131.7 46.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.086 -0.506 . . . . 1.6299999999999999 110.84 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.707 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 49.3 m-85 -142.21 144.96 33.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.21 -0.45 . . . . 0.76000000000000001 110.504 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -85.71 109.44 18.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.019 -0.537 . . . . 0.31 110.468 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.541 ' HB ' HD11 ' A' ' 87' ' ' ILE . 21.5 t -107.38 144.18 16.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.031 -0.729 . . . . 0.44 109.031 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.563 HD22 ' HE2' ' A' ' 85' ' ' LYS . 8.0 mp -79.98 153.92 28.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.816 0.341 . . . . 1.02 110.748 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 47.3 m0 -59.26 -27.15 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 0.47999999999999998 111.843 -176.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.563 ' HE2' HD22 ' A' ' 83' ' ' LEU . 62.7 pttt -63.01 -25.32 68.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 2.9300000000000002 111.578 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.544 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 59.4 m-20 -106.49 -6.85 17.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.704 0.288 . . . . 0.47999999999999998 111.193 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.541 HD11 ' HB ' ' A' ' 82' ' ' VAL . 67.9 mt -101.46 122.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.203 0.525 . . . . 0.33000000000000002 111.499 -176.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.415 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 26.9 mp0 -120.9 165.61 14.96 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.525 -0.917 . . . . 2.1899999999999999 108.525 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -79.11 149.93 31.92 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.147 -0.316 . . . . 1.3300000000000001 110.147 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 120.759 0.314 . . . . 0.56999999999999995 110.622 178.567 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.799 -0.445 . . . . 1.49 109.799 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.8 m -136.49 148.76 47.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.816 0.341 . . . . 0.48999999999999999 110.409 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.28 125.51 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.247 -0.433 . . . . 1.1000000000000001 110.811 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.42 0.16 50.18 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.878 -0.677 . . . . 0.46000000000000002 112.51 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.25 140.75 32.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.891 0.377 . . . . 1.0900000000000001 111.106 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -88.92 122.76 32.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.967 -0.56 . . . . 0.95999999999999996 109.532 173.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.432 HG11 HD11 ' A' ' 60' ' ' ILE . 29.4 m -130.75 153.43 39.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.931 -0.577 . . . . 0.20999999999999999 110.89 -175.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.2 mt -86.55 110.22 19.65 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.176 -1.046 . . . . 0.54000000000000004 108.176 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.694 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 59.2 m -95.26 117.53 30.43 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.201 0.524 . . . . 0.87 109.788 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.595 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 70.0 ttt-85 -88.24 125.28 34.57 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.353 -0.839 . . . . 2.7599999999999998 109.81 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -85.16 164.85 17.88 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.982 -0.748 . . . . 0.88 108.982 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 m -63.5 -11.18 21.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.895 0.379 . . . . 1.6899999999999999 111.58 -176.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.52 -15.91 56.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.092 0.472 . . . . 1.9099999999999999 110.559 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.23 9.64 47.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.831 -0.7 . . . . 0.62 112.713 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.2 mt -107.24 152.64 23.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.779 -0.248 . . . . 0.63 110.586 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 36.8 m-85 -106.82 142.16 36.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.949 0.404 . . . . 0.55000000000000004 110.907 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -128.32 140.94 51.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.71 -0.677 . . . . 0.55000000000000004 109.234 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.6 tp -81.31 130.65 35.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.829 0.347 . . . . 0.83999999999999997 110.501 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -151.48 170.81 31.05 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.854 -0.688 . . . . 0.20000000000000001 112.474 -177.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -118.08 123.92 46.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.719 0.295 . . . . 0.91000000000000003 110.909 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.432 HD11 HG11 ' A' ' 46' ' ' VAL . 67.5 mt -66.38 124.26 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.33000000000000002 110.694 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -101.28 -53.06 3.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.335 -0.393 . . . . 1.0800000000000001 110.443 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -126.68 126.93 44.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.09 -0.504 . . . . 3.23 110.191 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.435 HG23 ' SG ' ' A' ' 70' ' ' CYS . 7.1 p -109.91 133.95 53.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.836 0.35 . . . . 1.0700000000000001 110.392 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.0 p -121.4 103.4 8.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.081 0.467 . . . . 1.26 110.366 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.587 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 20.6 t -68.24 -36.39 79.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 1.26 110.879 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.6 m -71.39 -16.65 62.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.968 0.413 . . . . 1.25 111.29 -177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -113.12 -9.56 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.108 -0.496 . . . . 2.2999999999999998 111.532 -174.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 56.6 43.46 25.55 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.184 0.516 . . . . 1.6699999999999999 110.782 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t -148.41 156.99 43.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 1.23 110.159 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.473 ' HG ' ' HE1' ' A' ' 84' ' ' TRP . 77.9 m -135.9 137.69 41.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.314 -0.403 . . . . 1.05 110.814 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.406 ' HB2' ' CE2' ' A' ' 81' ' ' TRP . 60.3 tp -79.95 108.61 13.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.58 -0.896 . . . . 0.82999999999999996 108.58 172.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.608 HG11 ' SG ' ' A' ' 48' ' ' CYS . 59.1 t -110.28 135.73 48.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.0 -0.546 . . . . 0.20999999999999999 110.884 -174.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.8 m -101.4 107.3 18.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.37 -0.604 . . . . 0.34999999999999998 109.37 174.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.694 ' HE1' ' HB2' ' A' ' 48' ' ' CYS . 91.8 m-85 -69.35 168.58 14.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.176 -0.466 . . . . 0.29999999999999999 110.144 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.29 -14.96 55.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.355 0.598 . . . . 2.3100000000000001 110.326 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.6 -1.18 29.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.436 -0.802 . . . . 1.8400000000000001 110.492 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 73.84 1.98 4.08 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.366 0.666 . . . . 1.95 110.901 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 p -89.71 139.4 30.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.256 -0.429 . . . . 1.3600000000000001 110.635 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 33.1 mtmm -108.38 131.8 54.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 1.6299999999999999 110.544 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -142.16 150.34 40.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.22 -0.445 . . . . 0.76000000000000001 110.478 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.406 ' CE2' ' HB2' ' A' ' 71' ' ' LEU . 82.2 m95 -88.1 109.23 19.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.393 -0.367 . . . . 0.31 110.208 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.431 ' HB ' HD11 ' A' ' 87' ' ' ILE . 25.3 t -104.61 144.09 15.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.208 -0.664 . . . . 0.44 109.208 177.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.4 mp -81.0 154.41 26.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.078 -0.341 . . . . 1.02 110.078 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.587 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 50.1 m0 -61.93 -23.64 66.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 0.47999999999999998 111.094 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -62.06 -21.37 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.756 -0.657 . . . . 2.9300000000000002 111.644 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 45.7 m-20 -121.55 12.55 10.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.644 0.259 . . . . 0.47999999999999998 111.073 -178.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.431 HD11 ' HB ' ' A' ' 82' ' ' VAL . 64.1 mt -112.32 120.59 62.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.861 0.363 . . . . 0.33000000000000002 110.88 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 6.0 tp60 -129.74 138.36 51.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.057 -0.519 . . . . 2.1899999999999999 109.924 178.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -63.64 142.93 58.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.709 0.29 . . . . 1.3300000000000001 111.473 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.489 -0.323 . . . . 0.56999999999999995 110.432 177.806 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 121.057 0.456 . . . . 1.49 110.777 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.7 m -112.98 146.42 39.08 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.614 -0.721 . . . . 0.48999999999999999 110.036 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' A' ' 60' ' ' ILE . 20.0 mt-10 -66.83 152.56 45.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.094 -0.503 . . . . 1.1000000000000001 111.583 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.505 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 80.31 18.87 70.49 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.879 -0.677 . . . . 0.46000000000000002 112.978 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -112.31 155.1 24.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.947 -0.39 . . . . 1.0900000000000001 109.947 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -93.95 132.03 38.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.951 0.405 . . . . 0.95999999999999996 110.167 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.7 m -136.12 156.0 36.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.909 -0.587 . . . . 0.20999999999999999 110.911 -177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 88' ' ' GLN . 59.4 mt -99.3 110.96 23.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.765 -0.828 . . . . 0.54000000000000004 108.765 176.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.674 ' HB3' HG21 ' A' ' 82' ' ' VAL . 57.3 m -96.19 118.19 32.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.095 -0.502 . . . . 0.87 111.028 -173.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.644 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 23.1 ttt180 -84.77 123.87 30.91 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.585 -0.734 . . . . 2.7599999999999998 110.904 -179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.522 ' HB2' ' HE2' ' A' ' 56' ' ' TYR . 4.9 t-105 -81.42 172.68 13.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.453 -0.794 . . . . 0.88 109.179 176.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 t -64.68 -12.01 41.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.017 0.436 . . . . 1.6899999999999999 110.956 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -82.91 -10.48 58.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 1.9099999999999999 111.386 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.57 -1.91 69.67 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.636 -0.792 . . . . 0.62 112.583 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 95.9 mt -89.35 148.7 23.37 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.112 -0.329 . . . . 0.63 110.112 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 51.1 m-85 -105.0 154.83 19.59 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.645 -0.502 . . . . 0.55000000000000004 109.645 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.522 ' HE2' ' HB2' ' A' ' 50' ' ' TRP . 89.3 m-85 -137.03 138.87 40.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.284 -0.265 . . . . 0.55000000000000004 110.284 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -75.27 122.43 23.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.029 0.442 . . . . 0.83999999999999997 110.927 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -150.41 170.93 30.33 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.801 -0.636 . . . . 0.20000000000000001 112.086 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 80.8 tttt -114.5 130.38 56.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.693 0.283 . . . . 0.91000000000000003 111.292 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.722 HG23 ' SG ' ' A' ' 70' ' ' CYS . 78.1 mt -60.83 111.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.33000000000000002 110.424 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -98.62 -32.16 11.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.83 -0.623 . . . . 1.0800000000000001 110.276 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -158.54 135.75 9.97 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.438 -0.579 . . . . 3.23 109.438 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.59 129.9 69.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.047 0.451 . . . . 1.0700000000000001 110.808 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.4 t -109.55 108.6 19.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.516 . . . . 1.26 110.275 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.464 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 14.2 p -74.0 -32.39 63.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.342 -0.39 . . . . 1.26 110.657 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.8 m -66.58 -41.92 87.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 1.25 111.397 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -93.46 -5.9 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.093 -0.243 . . . . 2.2999999999999998 111.641 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 58.52 37.19 25.56 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.226 0.536 . . . . 1.6699999999999999 109.889 -176.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.517 ' HB2' HD23 ' A' ' 83' ' ' LEU . 32.8 t -136.45 167.52 21.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.616 -0.72 . . . . 1.23 110.058 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.722 ' SG ' HG23 ' A' ' 60' ' ' ILE . 53.5 t -140.73 135.51 31.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.963 0.411 . . . . 1.05 111.021 -178.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.8 tp -81.3 108.99 15.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.934 -0.765 . . . . 0.82999999999999996 108.934 173.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 62.0 t -109.5 135.41 48.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.943 -0.571 . . . . 0.20999999999999999 111.03 -174.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 m -101.2 106.16 17.35 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.674 -0.491 . . . . 0.34999999999999998 109.674 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.462 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 85.3 m-85 -75.93 176.21 8.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.856 0.36 . . . . 0.29999999999999999 111.331 -176.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.28 -25.57 67.19 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.104 -0.498 . . . . 2.3100000000000001 110.814 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 77' ' ' ASN . 33.1 t70 -79.82 3.46 19.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.736 -0.666 . . . . 1.8400000000000001 110.569 177.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 4.6 m-20 72.22 -1.03 3.04 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.47 -0.786 . . . . 1.95 111.306 176.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.542 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . 0.8 OUTLIER -79.06 137.13 37.4 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.977 -0.556 . . . . 1.3600000000000001 110.357 177.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 50.8 mtmt -110.21 130.81 55.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.14 -0.482 . . . . 1.6299999999999999 110.313 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 78' ' ' SER . 97.5 m-85 -139.16 160.02 40.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.281 -0.418 . . . . 0.76000000000000001 109.966 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -96.25 112.38 24.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.455 -0.339 . . . . 0.31 110.289 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.674 HG21 ' HB3' ' A' ' 48' ' ' CYS . 21.5 t -110.76 130.87 63.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.37 -0.377 . . . . 0.44 110.047 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 69' ' ' SER . 96.6 mt -62.59 143.23 57.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.429 -0.35 . . . . 1.02 110.475 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.464 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 45.4 m0 -57.45 -24.83 57.98 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.208 0.528 . . . . 0.47999999999999998 110.527 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -61.76 -29.11 69.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.401 -0.818 . . . . 2.9300000000000002 111.135 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.644 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 46.1 m-20 -113.51 11.01 18.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.925 0.393 . . . . 0.47999999999999998 111.032 -175.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 62.1 mt -98.81 120.49 48.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.006 0.431 . . . . 0.33000000000000002 110.672 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 11.0 tp60 -105.8 163.16 12.93 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.388 -0.968 . . . . 2.1899999999999999 108.388 176.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -88.24 134.44 33.79 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.692 -0.403 . . . . 1.3300000000000001 109.957 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.56999999999999995 110.324 179.869 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 84' ' ' TRP . 90.3 mt . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.969 0.414 . . . . 1.49 111.526 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.6 m -129.64 147.46 51.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.845 -0.616 . . . . 0.48999999999999999 109.811 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -70.66 140.23 51.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.903 0.382 . . . . 1.1000000000000001 110.696 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.448 ' HA2' ' HE2' ' A' ' 59' ' ' LYS . . . 99.28 -6.52 59.59 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.893 -0.67 . . . . 0.46000000000000002 111.965 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -91.98 146.45 23.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.708 0.29 . . . . 1.0900000000000001 110.728 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -89.06 126.07 35.28 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.62 -0.511 . . . . 0.95999999999999996 109.62 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' HB ' HG23 ' A' ' 87' ' ' ILE . 23.4 m -134.04 153.84 36.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.328 0.585 . . . . 0.20999999999999999 111.684 -175.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.9 mt -88.77 111.45 22.01 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.153 -0.93 . . . . 0.54000000000000004 108.964 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.493 ' SG ' HG11 ' A' ' 72' ' ' VAL . 35.6 m -98.64 119.86 38.1 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.794 -0.639 . . . . 0.87 110.247 -176.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.507 ' NH1' ' HA ' ' A' ' 86' ' ' ASP . 35.3 ttm180 -86.51 113.76 22.7 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.683 -0.69 . . . . 2.7599999999999998 110.479 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -83.21 173.14 11.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.042 -0.526 . . . . 0.88 109.606 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.3 m -63.27 -14.27 47.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 1.6899999999999999 111.756 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -76.11 -9.15 58.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.816 0.341 . . . . 1.9099999999999999 110.847 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.51 11.37 82.05 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.904 -0.665 . . . . 0.62 111.645 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.7 mt -103.7 156.94 17.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.09 -0.337 . . . . 0.63 110.09 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -105.77 135.63 46.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.034 0.445 . . . . 0.55000000000000004 110.761 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -127.04 136.24 51.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.802 -0.636 . . . . 0.55000000000000004 109.826 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -80.7 128.23 33.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.926 0.393 . . . . 0.83999999999999997 110.485 -178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -149.18 165.6 29.4 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.901 -0.666 . . . . 0.20000000000000001 111.859 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' HE2' ' HA2' ' A' ' 43' ' ' GLY . 52.3 tttm -107.56 124.73 50.36 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.564 0.221 . . . . 0.91000000000000003 110.709 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.07 111.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.43 -0.35 . . . . 0.33000000000000002 110.291 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -90.56 -34.43 15.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.033 0.444 . . . . 1.0800000000000001 110.147 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.437 ' HB3' ' HB3' ' A' ' 71' ' ' LEU . 74.6 ttt180 -146.79 134.86 21.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.782 -0.645 . . . . 3.23 109.986 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.562 HG23 ' SG ' ' A' ' 70' ' ' CYS . 9.1 p -107.98 135.16 47.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.584 -0.525 . . . . 1.0700000000000001 109.584 174.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.446 ' OG ' ' HD3' ' A' ' 67' ' ' LYS . 35.8 t -123.66 108.49 12.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.968 0.413 . . . . 1.26 110.631 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 56.5 p -73.59 -20.58 60.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.07 -0.514 . . . . 1.26 110.321 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.9 m -73.2 -37.91 66.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.156 -0.475 . . . . 1.25 110.999 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HD3' ' OG ' ' A' ' 64' ' ' SER . 4.3 mptp? -98.93 -6.09 29.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 2.2999999999999998 111.48 -177.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 58.11 32.46 22.03 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.055 0.455 . . . . 1.6699999999999999 110.749 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.668 ' HB3' HD23 ' A' ' 83' ' ' LEU . 19.1 p -141.72 167.03 23.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.81 -0.632 . . . . 1.23 110.469 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.562 ' SG ' HG23 ' A' ' 63' ' ' VAL . 75.7 m -130.01 139.92 50.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.086 -0.507 . . . . 1.05 110.396 177.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.457 HD21 ' HE2' ' A' ' 79' ' ' LYS . 57.9 tp -82.3 108.2 15.56 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.663 -0.866 . . . . 0.82999999999999996 108.663 175.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.493 HG11 ' SG ' ' A' ' 48' ' ' CYS . 58.7 t -103.37 137.13 32.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 116.189 -0.459 . . . . 0.20999999999999999 111.259 -173.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.8 m -101.31 110.27 22.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.548 -0.538 . . . . 0.34999999999999998 109.548 174.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.456 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 98.7 m-85 -81.95 -177.31 6.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.366 -0.379 . . . . 0.29999999999999999 111.142 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.3 -31.04 70.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.3 0.572 . . . . 2.3100000000000001 110.681 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -77.36 0.73 21.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.426 -0.806 . . . . 1.8400000000000001 110.57 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.3 t30 71.83 5.51 5.38 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.64 -0.709 . . . . 1.95 110.437 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.46 137.9 36.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.699 -0.682 . . . . 1.3600000000000001 110.501 178.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 45.6 mtpt -103.08 131.86 49.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.575 -0.739 . . . . 1.6299999999999999 110.01 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.456 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 73.6 m-85 -142.39 145.27 33.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.689 -0.232 . . . . 0.76000000000000001 110.601 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -84.41 109.46 17.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.211 -0.449 . . . . 0.31 110.491 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' A' ' 87' ' ' ILE . 21.0 t -107.91 137.07 41.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.389 -0.597 . . . . 0.44 109.389 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 69' ' ' SER . 95.5 mt -68.92 150.43 47.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.524 0.202 . . . . 1.02 110.733 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.572 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 51.5 m0 -56.18 -35.68 67.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 0.47999999999999998 110.696 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -65.16 -16.39 63.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.841 -0.618 . . . . 2.9300000000000002 111.859 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.507 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 36.4 m-20 -110.79 5.47 20.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.859 0.361 . . . . 0.47999999999999998 110.819 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.427 HG23 ' HB ' ' A' ' 46' ' ' VAL . 66.5 mt -111.68 116.77 53.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.217 -0.447 . . . . 0.33000000000000002 110.682 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -121.97 132.17 54.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.896 -0.593 . . . . 2.1899999999999999 109.962 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -58.47 135.52 57.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.989 0.366 . . . . 1.3300000000000001 111.989 -174.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.56999999999999995 110.129 177.161 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 121.133 0.492 . . . . 1.49 111.144 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.55 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 40.4 m -134.83 144.33 47.53 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.526 -0.761 . . . . 0.48999999999999999 109.424 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.541 ' HG2' HG23 ' A' ' 63' ' ' VAL . 30.6 mt-10 -70.24 134.52 48.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.944 0.402 . . . . 1.1000000000000001 110.557 -177.089 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.8 -3.66 60.9 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.95 -0.643 . . . . 0.46000000000000002 112.262 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.55 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 55.7 mt-30 -95.19 151.23 19.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.622 0.249 . . . . 1.0900000000000001 110.398 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -90.44 137.32 32.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.896 -0.409 . . . . 0.95999999999999996 109.896 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 60' ' ' ILE . 16.1 m -139.85 163.16 25.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.264 0.554 . . . . 0.20999999999999999 111.377 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.7 mt -102.39 111.09 23.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.446 -0.946 . . . . 0.54000000000000004 108.446 176.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.456 ' SG ' HG11 ' A' ' 72' ' ' VAL . 59.1 m -98.89 123.21 43.01 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.874 0.369 . . . . 0.87 110.803 -175.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 60.2 ttt180 -89.32 110.85 21.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.964 -0.562 . . . . 2.7599999999999998 110.074 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -82.37 178.26 8.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.069 -0.514 . . . . 0.88 110.079 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 t -63.22 -15.62 57.59 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.012 0.434 . . . . 1.6899999999999999 111.675 -175.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -76.46 -8.13 56.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.053 0.454 . . . . 1.9099999999999999 110.664 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.2 -2.3 86.72 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.954 -0.566 . . . . 0.62 112.134 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.53 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 89.4 mt -95.31 160.94 14.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.717 0.294 . . . . 0.63 110.816 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.454 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 43.8 m-85 -105.39 139.07 40.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.101 -0.5 . . . . 0.55000000000000004 110.708 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -127.35 145.54 50.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.515 -0.766 . . . . 0.55000000000000004 109.55 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -82.85 132.94 35.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.872 0.367 . . . . 0.83999999999999997 110.923 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.81 168.64 33.92 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.956 -0.64 . . . . 0.20000000000000001 112.02 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -112.09 128.04 56.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.45 0.167 . . . . 0.91000000000000003 110.802 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.47 HD11 HG11 ' A' ' 46' ' ' VAL . 64.4 mt -64.77 120.75 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.33000000000000002 110.249 178.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 14.1 tppt? -97.98 -43.81 6.92 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.139 -0.482 . . . . 1.0800000000000001 110.367 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.491 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 65.6 ttt180 -145.93 133.67 21.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.235 -0.438 . . . . 3.23 110.737 -178.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.541 HG23 ' HG2' ' A' ' 42' ' ' GLU . 75.4 t -100.72 124.38 54.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.636 -0.257 . . . . 1.0700000000000001 110.898 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.1 t -106.23 102.6 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.489 -0.56 . . . . 1.26 109.489 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 17.2 m -73.24 -28.79 62.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.788 -0.642 . . . . 1.26 110.975 -176.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 p -73.38 -41.21 63.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.987 -0.552 . . . . 1.25 111.642 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -91.9 -6.21 51.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.65 -0.25 . . . . 2.2999999999999998 111.564 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 61.0 35.65 18.9 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.986 0.422 . . . . 1.6699999999999999 110.854 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.7 p -136.21 160.05 39.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.975 -0.557 . . . . 1.23 110.833 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.404 ' SG ' HG22 ' A' ' 63' ' ' VAL . 93.9 m -128.67 138.1 51.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.078 -0.51 . . . . 1.05 110.366 176.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' ' 79' ' ' LYS . 61.9 tp -79.62 108.78 13.43 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.416 -0.957 . . . . 0.82999999999999996 108.416 173.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.456 HG11 ' SG ' ' A' ' 48' ' ' CYS . 58.2 t -108.53 137.74 38.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 116.161 -0.472 . . . . 0.20999999999999999 110.551 -174.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.3 m -103.01 108.7 19.97 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.657 -0.497 . . . . 0.34999999999999998 109.657 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.418 ' CE2' ' HD2' ' A' ' 80' ' ' TYR . 98.5 m-85 -74.99 176.29 7.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.274 -0.421 . . . . 0.29999999999999999 111.178 -177.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.2 -22.13 66.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 2.3100000000000001 111.788 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -86.89 6.13 33.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.96 0.41 . . . . 1.8400000000000001 110.29 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 69.11 19.69 7.91 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.142 0.972 . . . . 1.95 109.492 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -80.51 133.03 35.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.15 -0.932 . . . . 1.3600000000000001 109.75 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.467 ' HB3' HD11 ' A' ' 71' ' ' LEU . 53.3 mtpt -108.77 130.32 55.38 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.11 -0.33 . . . . 1.6299999999999999 110.11 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.418 ' HD2' ' CE2' ' A' ' 74' ' ' PHE . 80.0 m-85 -147.1 156.59 43.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.76000000000000001 110.628 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -97.85 108.72 21.49 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.686 -0.487 . . . . 0.31 109.686 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.412 ' HB ' HD11 ' A' ' 87' ' ' ILE . 15.3 t -105.42 136.43 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.396 -0.366 . . . . 0.44 110.106 -178.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.58 143.26 57.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.303 -0.408 . . . . 1.02 110.696 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 50.4 m0 -55.92 -34.58 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.47999999999999998 111.589 -177.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -61.7 -28.4 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 2.9300000000000002 111.573 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -101.22 3.46 40.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.39 -0.368 . . . . 0.47999999999999998 111.124 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.412 HD11 ' HB ' ' A' ' 82' ' ' VAL . 71.8 mt -102.38 119.73 51.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.262 0.553 . . . . 0.33000000000000002 110.829 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -110.36 165.72 11.55 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.3 -1.0 . . . . 2.1899999999999999 108.3 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -80.03 147.82 31.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.302 0.501 . . . . 1.3300000000000001 110.407 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.388 0 C-N-CA 120.948 -0.301 . . . . 0.56999999999999995 110.757 179.306 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.8 t . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 121.001 0.429 . . . . 2.1899999999999999 110.119 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -95.59 124.25 39.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.056 -0.52 . . . . 3.9199999999999999 109.983 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.77 131.11 45.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.109 -0.496 . . . . 1.49 111.011 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.6 m -132.55 154.4 50.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.218 -0.901 . . . . 0.48999999999999999 109.467 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -70.64 139.98 51.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.919 0.39 . . . . 1.1000000000000001 111.038 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.5 -7.95 77.35 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.013 -0.613 . . . . 0.46000000000000002 112.71 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -76.59 136.24 39.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.82 0.343 . . . . 1.0900000000000001 110.855 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 96.8 m-85 -85.27 125.28 32.77 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.342 -0.984 . . . . 0.95999999999999996 108.342 170.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 m -133.76 161.18 41.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.31 0.576 . . . . 0.20999999999999999 111.581 -173.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 55' ' ' TYR . 84.0 mt -104.28 110.56 22.83 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.127 -0.942 . . . . 0.54000000000000004 108.718 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.508 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 62.7 m -92.64 122.95 35.56 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.933 -0.576 . . . . 0.87 109.827 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.483 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . 32.1 ttt180 -85.16 110.02 18.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.733 -0.667 . . . . 2.7599999999999998 110.329 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -80.74 178.42 8.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.517 -0.765 . . . . 0.88 110.274 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -70.9 -0.75 9.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.21 0.529 . . . . 1.6899999999999999 111.741 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -85.46 -12.46 51.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.541 . . . . 1.9099999999999999 110.355 174.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.65 -2.23 85.97 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.401 -0.68 . . . . 0.62 111.401 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.402 HD13 ' HB2' ' B' ' 38' ' ' PRO . 70.5 mt -96.5 160.33 14.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.345 -0.428 . . . . 0.63 110.295 -178.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.551 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . 84.4 m-85 -105.35 139.69 39.6 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.107 -0.497 . . . . 0.55000000000000004 110.434 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.545 ' CD1' ' HE3' ' B' ' 36' ' ' M3L . 91.8 m-85 -121.02 142.78 49.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.53 -0.759 . . . . 0.55000000000000004 110.055 178.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.3 tp -84.67 133.65 34.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.784 0.326 . . . . 0.83999999999999997 110.83 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.25 169.14 36.04 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.023 -0.608 . . . . 0.20000000000000001 112.172 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.5 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 42.7 tttm -114.47 126.84 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.645 0.26 . . . . 0.91000000000000003 110.792 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.1 mt -68.76 116.51 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.33000000000000002 110.263 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -95.01 -42.05 8.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.045 0.45 . . . . 1.0800000000000001 110.318 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -137.24 137.0 38.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.817 -0.629 . . . . 3.23 110.12 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.454 HG23 ' SG ' ' A' ' 70' ' ' CYS . 9.2 p -117.92 138.86 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 110.091 -0.337 . . . . 1.0700000000000001 110.091 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -134.9 114.67 12.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.09 0.472 . . . . 1.26 110.959 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.596 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 6.1 p -69.22 -44.45 72.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.613 -0.721 . . . . 1.26 112.316 -175.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.4 m -65.2 -39.1 92.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.8 0.333 . . . . 1.25 111.202 -177.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -76.41 -22.12 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.361 -0.381 . . . . 2.2999999999999998 111.218 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 63.27 29.77 15.81 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.382 0.61 . . . . 1.6699999999999999 110.396 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.3 m -139.62 157.51 45.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.716 -0.674 . . . . 1.23 110.114 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' A' ' 63' ' ' VAL . 73.2 m -121.44 141.02 51.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.242 -0.435 . . . . 1.05 110.245 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 ' HB3' ' A' ' 79' ' ' LYS . 53.5 tp -82.36 108.15 15.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.746 -0.835 . . . . 0.82999999999999996 108.746 174.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 54.5 t -110.87 137.75 41.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.826 -0.625 . . . . 0.20999999999999999 110.643 -174.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 78' ' ' SER . 76.5 m -102.43 109.43 21.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.824 -0.436 . . . . 0.34999999999999998 109.824 174.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.514 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 99.4 m-85 -74.73 179.71 4.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.5 . . . . 0.29999999999999999 111.249 -176.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.43 -30.4 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.843 -0.617 . . . . 2.3100000000000001 111.499 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -90.1 17.44 6.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.024 0.44 . . . . 1.8400000000000001 110.538 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 69.24 13.74 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.448 -0.796 . . . . 1.95 111.931 172.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 73' ' ' THR . 62.4 p -83.24 140.66 32.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.282 -0.266 . . . . 1.3600000000000001 110.282 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.646 ' HB3' HD11 ' A' ' 71' ' ' LEU . 38.6 mtmm -107.31 130.47 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.995 0.426 . . . . 1.6299999999999999 110.475 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.514 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 64.5 m-85 -141.42 154.23 45.48 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.878 -0.601 . . . . 0.76000000000000001 110.476 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -95.69 108.33 20.62 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.492 -0.559 . . . . 0.31 109.492 173.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.3 t -105.46 136.77 38.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.897 -0.592 . . . . 0.44 109.888 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.422 ' O ' HG13 ' A' ' 87' ' ' ILE . 52.1 mt -61.86 144.18 55.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.452 -0.34 . . . . 1.02 110.77 177.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.596 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 53.5 m0 -57.33 -31.26 65.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.47999999999999998 111.081 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' ' 83' ' ' LEU . 21.4 ptmt -69.62 -16.04 63.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.02 -0.536 . . . . 2.9300000000000002 111.352 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -107.46 0.53 22.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.89 0.376 . . . . 0.47999999999999998 111.011 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 83' ' ' LEU . 70.2 mt -105.34 118.43 52.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.196 0.522 . . . . 0.33000000000000002 110.911 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -112.14 148.53 33.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.673 -0.694 . . . . 2.1899999999999999 109.512 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -73.15 146.42 45.67 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.112 -0.329 . . . . 1.3300000000000001 110.112 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.38 136.17 39.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.802 0.334 . . . . 0.56999999999999995 110.262 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.33 14.72 53.31 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.919 -0.658 . . . . 1.51 112.602 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.7 m -121.07 148.95 50.25 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.706 0.289 . . . . 2.1600000000000001 110.558 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.56 42.07 1.09 Allowed 'Trans proline' 0 CA--C 1.529 0.231 0 C-N-CA 123.143 2.562 . . . . 2.8199999999999998 113.388 -177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 90.83 99.02 1.2 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.543 -0.837 . . . . 3.9500000000000002 112.176 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.87 -0.586 . . . . 5.9000000000000004 109.792 177.802 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.41 -0.219 . . . . 9.6500000000000004 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -79.46 -30.34 42.12 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.13 0.49 . . . . 8.6999999999999993 109.982 176.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.38 79.56 0.3 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.789 -0.924 . . . . 6.0899999999999999 110.789 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.34 111.84 3.1 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 111.021 -0.832 . . . . 3.6000000000000001 111.021 -172.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.26 126.59 31.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.954 0.407 . . . . 2.8900000000000001 110.409 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' M3L . . . . . 0.545 ' HE3' ' CD1' ' A' ' 56' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 115.774 -0.648 . . . . 1.79 109.451 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -105.03 127.75 28.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 121.287 0.565 . . . . 3.0499999999999998 111.762 -173.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.461 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 96.1 Cg_endo -90.9 150.77 3.96 Favored 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 122.996 2.464 . . . . 1.23 111.695 173.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -158.71 171.45 20.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.749 0.309 . . . . 2.3999999999999999 111.215 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -92.33 62.81 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.217 -0.447 . . . . 4.75 110.542 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 57.5 t80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.39 -0.814 . . . . 3.3300000000000001 111.028 178.216 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 120.728 0.299 . . . . 2.1899999999999999 110.427 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HB3' ' HE3' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -93.81 100.15 12.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.32 -0.622 . . . . 3.9199999999999999 109.32 178.223 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.574 HD12 HD11 ' A' ' 60' ' ' ILE . 3.0 mm? -85.63 132.22 34.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.141 0.495 . . . . 1.49 111.157 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.477 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 54.3 m -139.83 142.06 36.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.659 -0.7 . . . . 0.48999999999999999 109.441 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.563 ' HA ' HG22 ' A' ' 60' ' ' ILE . 72.5 mt-10 -71.93 142.71 49.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.979 0.419 . . . . 1.1000000000000001 111.256 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.506 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 89.38 17.44 55.26 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.587 -0.733 . . . . 0.46000000000000002 112.378 -177.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.477 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 12.4 mt-30 -118.63 155.97 30.04 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.305 -0.257 . . . . 1.0900000000000001 110.305 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -96.83 131.3 43.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.264 0.554 . . . . 0.95999999999999996 110.746 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.554 ' HB ' ' O ' ' A' ' 88' ' ' GLN . 24.5 m -134.4 155.34 38.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.499 -0.773 . . . . 0.20999999999999999 110.889 -176.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.3 mt -98.38 110.69 23.24 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.572 -0.899 . . . . 0.54000000000000004 108.572 170.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.693 ' HB3' ' HE1' ' A' ' 74' ' ' PHE . 53.7 t -96.21 121.38 37.92 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.737 -0.665 . . . . 0.87 110.097 -175.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -84.18 137.37 33.55 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.827 -0.624 . . . . 2.7599999999999998 109.936 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.622 ' HB2' ' HE2' ' A' ' 56' ' ' TYR . 7.9 t-105 -100.22 168.52 9.75 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.836 -0.62 . . . . 0.88 109.507 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 p -66.93 -9.46 38.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 1.6899999999999999 111.423 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.4 3.76 51.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 1.9099999999999999 111.205 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.92 25.22 64.98 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.938 -0.648 . . . . 0.62 112.925 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -122.0 156.21 33.95 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.847 -0.427 . . . . 0.63 109.847 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.704 ' HB2' ' HB2' ' B' ' 39' ' ' HIS . 63.0 m-85 -106.72 148.66 28.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.783 0.325 . . . . 0.55000000000000004 110.759 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.622 ' HE2' ' HB2' ' A' ' 50' ' ' TRP . 66.0 m-85 -137.43 131.78 32.45 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.989 -0.551 . . . . 0.55000000000000004 110.193 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 tp -78.15 136.0 37.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.93 0.395 . . . . 0.83999999999999997 110.843 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.2 164.75 34.54 Favored Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 120.955 -0.641 . . . . 0.20000000000000001 112.098 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.506 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 77.4 tttt -103.61 126.45 50.76 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.411 -0.218 . . . . 0.91000000000000003 110.411 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.685 HG23 ' SG ' ' A' ' 70' ' ' CYS . 73.8 mt -60.19 111.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.922 0.391 . . . . 0.33000000000000002 110.115 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -88.83 -45.66 9.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.816 -0.629 . . . . 1.0800000000000001 110.015 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.415 ' HA ' ' CD ' ' A' ' 42' ' ' GLU . 67.5 ttt180 -149.75 126.77 11.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.535 -0.757 . . . . 3.23 110.016 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.518 HG12 ' HG3' ' A' ' 42' ' ' GLU . 11.0 p -110.67 133.01 57.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.128 0.49 . . . . 1.0700000000000001 110.534 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.8 p -112.05 105.15 13.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.093 -0.503 . . . . 1.26 110.545 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.668 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 11.0 p -71.8 -31.3 66.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.912 -0.585 . . . . 1.26 111.433 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.5 m -69.55 -33.52 72.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.231 0.539 . . . . 1.25 110.62 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -97.37 -4.77 37.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.719 -0.673 . . . . 2.2999999999999998 111.195 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 54.9 31.35 15.66 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.029 -0.532 . . . . 1.6699999999999999 111.49 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.538 ' HB3' HD23 ' A' ' 83' ' ' LEU . 1.4 p -138.07 163.34 31.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.958 -0.565 . . . . 1.23 110.214 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.685 ' SG ' HG23 ' A' ' 60' ' ' ILE . 44.1 t -133.73 141.83 47.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.106 0.479 . . . . 1.05 111.436 -176.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.7 tp -88.5 108.85 19.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.351 -0.841 . . . . 0.82999999999999996 109.168 172.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 37.1 t -104.32 132.22 51.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.061 -0.518 . . . . 0.20999999999999999 110.699 -175.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.2 m -96.79 96.12 8.35 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.334 -0.617 . . . . 0.34999999999999998 109.334 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.693 ' HE1' ' HB3' ' A' ' 48' ' ' CYS . 92.8 m-85 -71.61 171.75 10.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.118 -0.492 . . . . 0.29999999999999999 111.258 -173.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.32 -20.07 62.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.399 0.618 . . . . 2.3100000000000001 109.929 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.969 ' HB2' ' HB3' ' B' ' 36' ' ' M3L . 36.7 t70 -77.9 -1.53 32.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.29 -0.868 . . . . 1.8400000000000001 110.602 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.8 t30 76.08 -31.62 0.2 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.77 0.828 . . . . 1.95 110.937 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 76' ' ' ASP . 19.6 m -59.12 133.86 56.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.069 -0.514 . . . . 1.3600000000000001 110.577 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 47.5 mtpt -110.08 131.16 55.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.827 -0.624 . . . . 1.6299999999999999 109.924 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -136.15 156.98 47.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.716 0.293 . . . . 0.76000000000000001 110.786 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -97.61 121.69 39.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.871 -0.604 . . . . 0.31 109.917 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.551 HG21 ' SG ' ' A' ' 48' ' ' CYS . 21.4 t -129.15 144.4 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.472 -0.331 . . . . 0.44 110.35 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 69' ' ' SER . 96.3 mt -64.22 150.89 44.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.864 0.364 . . . . 1.02 110.799 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.668 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 53.8 m0 -64.61 -21.05 66.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.47999999999999998 111.606 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -64.89 -13.91 58.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.41 -0.359 . . . . 2.9300000000000002 111.724 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -117.74 -9.24 10.75 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.762 0.282 . . . . 0.47999999999999998 111.762 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.536 HD11 ' HB ' ' A' ' 82' ' ' VAL . 77.1 mt -98.07 117.63 43.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.049 0.452 . . . . 0.33000000000000002 111.158 -175.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.554 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 63.0 mt-30 -117.96 165.28 13.89 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.852 -0.613 . . . . 2.1899999999999999 109.786 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -90.58 142.6 27.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.726 0.298 . . . . 1.3300000000000001 111.494 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.08 147.01 24.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.389 . . . . 0.56999999999999995 110.232 176.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.88 5.38 62.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.737 . . . . 1.51 112.419 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.0 m -117.25 147.08 39.7 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 109.75 -0.463 . . . . 2.1600000000000001 109.75 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.42 -51.25 10.41 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.757 2.305 . . . . 2.8199999999999998 112.503 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.84 76.29 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.929 -0.653 . . . . 3.9500000000000002 111.791 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.671 -0.68 . . . . 5.9000000000000004 110.273 -177.37 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.501 ' HB3' HM11 ' B' ' 36' ' ' M3L . . . . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.148 -0.315 . . . . 9.6500000000000004 110.148 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 12.0 t -86.98 137.32 32.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.183 0.516 . . . . 8.6999999999999993 110.973 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.63 141.06 9.71 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.794 -0.717 . . . . 6.0899999999999999 111.949 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -109.29 -46.97 0.89 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.744 -0.741 . . . . 3.6000000000000001 111.902 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.764 HG23 ' HA ' ' A' ' 76' ' ' ASP . 9.8 m -134.66 31.68 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.354 0.597 . . . . 2.8900000000000001 110.549 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' M3L . . . . . 0.969 ' HB3' ' HB2' ' A' ' 76' ' ' ASP . . . . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 115.888 -0.597 . . . . 1.79 110.848 -176.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 48.4 mmtm -93.37 114.51 63.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.03 -0.359 . . . . 3.0499999999999998 110.03 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 7.9 Cg_exo -73.2 139.73 29.83 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.096 2.53 . . . . 1.23 112.615 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.704 ' HB2' ' HB2' ' A' ' 55' ' ' TYR . 66.3 m-70 -91.89 142.13 27.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.834 -0.621 . . . . 2.3999999999999999 109.553 176.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -108.76 112.65 25.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.401 -0.363 . . . . 4.75 110.696 -176.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.556 -0.735 . . . . 3.3300000000000001 109.719 175.907 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.623 ' HB3' ' HE1' ' A' ' 89' ' ' HIS . 18.5 m . . . . . 0 N--CA 1.475 0.821 0 CA-C-O 120.493 0.187 . . . . 2.1899999999999999 110.532 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? 67.13 103.04 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.531 0.681 . . . . 3.9199999999999999 111.321 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.61 132.56 40.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.69 -0.686 . . . . 1.49 110.551 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.401 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 7.9 m -131.84 147.02 52.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.678 -0.692 . . . . 0.48999999999999999 109.769 -177.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.473 ' OE2' ' HA ' ' A' ' 62' ' ' ARG . 27.6 mt-10 -73.59 152.64 40.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.812 0.339 . . . . 1.1000000000000001 110.75 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.486 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 88.43 -8.84 77.73 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.46000000000000002 112.194 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 76.7 mt-30 -86.76 144.08 27.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.845 0.355 . . . . 1.0900000000000001 110.769 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -90.8 122.93 33.95 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.557 -0.905 . . . . 0.95999999999999996 108.557 174.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 m -128.68 152.77 37.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.248 0.547 . . . . 0.20999999999999999 111.556 -175.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.541 ' HG ' ' HB2' ' A' ' 90' ' ' ALA . 56.8 mt -87.51 111.11 20.85 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.212 -0.904 . . . . 0.54000000000000004 108.893 175.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.518 ' SG ' HG11 ' A' ' 72' ' ' VAL . 57.0 m -100.76 118.1 36.18 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.262 -0.426 . . . . 0.87 110.231 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.616 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 70.4 ttt180 -73.92 105.25 5.1 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.512 0.672 . . . . 2.7599999999999998 109.778 177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -87.43 -179.01 6.29 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.138 -0.937 . . . . 0.88 110.623 -172.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.9 m -64.36 -16.33 62.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.982 -0.553 . . . . 1.6899999999999999 112.291 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -76.1 -10.16 59.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 1.9099999999999999 110.454 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.99 0.49 85.52 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.775 -0.726 . . . . 0.62 111.494 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.99 170.91 7.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.522 -0.339 . . . . 0.63 110.169 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -105.14 136.31 44.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.961 0.41 . . . . 0.55000000000000004 110.137 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -128.19 133.22 48.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.781 -0.645 . . . . 0.55000000000000004 110.444 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.8 tp -73.91 128.84 36.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.081 0.467 . . . . 0.83999999999999997 111.027 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -147.26 164.55 28.67 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.448 -0.661 . . . . 0.20000000000000001 111.448 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.486 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 82.7 tttt -105.25 125.68 51.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.951 0.375 . . . . 0.91000000000000003 111.476 -178.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.459 HG23 ' HB3' ' A' ' 70' ' ' CYS . 65.8 mt -70.96 116.24 12.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.33000000000000002 110.27 177.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -100.25 -25.66 14.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.575 0.226 . . . . 1.0800000000000001 110.711 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.473 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 64.9 ttt180 -149.37 149.21 30.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.322 -0.399 . . . . 3.23 110.008 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.3 t -120.67 126.89 75.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.683 0.278 . . . . 1.0700000000000001 110.657 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.5 t -108.23 101.84 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.242 -0.651 . . . . 1.26 109.242 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.412 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 15.5 m -74.65 -30.44 61.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.979 -0.555 . . . . 1.26 111.65 -174.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.2 p -72.09 -31.06 65.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.188 0.518 . . . . 1.25 111.073 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -96.48 -6.86 36.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.955 -0.566 . . . . 2.2999999999999998 110.942 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 55.65 42.96 28.9 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.399 0.618 . . . . 1.6699999999999999 110.237 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.532 ' HB2' HD23 ' A' ' 83' ' ' LEU . 23.2 t -144.14 146.74 32.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.547 -0.751 . . . . 1.23 109.94 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.459 ' HB3' HG23 ' A' ' 60' ' ' ILE . 70.8 m -116.46 145.47 43.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.895 0.379 . . . . 1.05 110.947 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' A' ' 79' ' ' LYS . 45.1 tp -79.73 107.98 12.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.286 -1.005 . . . . 0.82999999999999996 108.286 171.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.518 HG11 ' SG ' ' A' ' 48' ' ' CYS . 61.5 t -112.91 131.15 65.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.993 -0.549 . . . . 0.20999999999999999 110.793 -174.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.419 ' OG1' ' HG2' ' A' ' 79' ' ' LYS . 20.2 m -101.29 106.05 17.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.526 -0.546 . . . . 0.34999999999999998 109.526 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.452 ' HE1' ' HB2' ' A' ' 48' ' ' CYS . 94.3 m-85 -71.59 176.12 5.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.56 . . . . 0.29999999999999999 110.333 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -59.11 -20.2 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.232 0.539 . . . . 2.3100000000000001 110.905 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.524 ' HA ' HG21 ' B' ' 35' ' ' VAL . 21.5 t70 -77.38 -1.12 28.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.536 -0.756 . . . . 1.8400000000000001 110.497 -179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.3 m120 69.13 7.25 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.451 -0.795 . . . . 1.95 111.056 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.9 m -97.0 135.27 39.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.507 -0.769 . . . . 1.3600000000000001 109.677 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HB3' HD11 ' A' ' 71' ' ' LEU . 53.3 mttp -96.67 131.7 43.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.474 -0.33 . . . . 1.6299999999999999 110.899 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.429 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 84.2 m-85 -139.85 159.16 42.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.96 -0.564 . . . . 0.76000000000000001 109.806 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -97.29 112.37 24.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.112 0.482 . . . . 0.31 110.472 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' A' ' 48' ' ' CYS . 18.8 t -105.32 139.09 27.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.63 . . . . 0.44 109.413 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' A' ' 69' ' ' SER . 94.7 mt -72.74 147.35 45.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.706 -0.224 . . . . 1.02 110.425 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.412 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 46.7 m0 -57.16 -26.07 59.98 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.183 0.516 . . . . 0.47999999999999998 110.403 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -67.47 -21.65 65.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.276 -0.875 . . . . 2.9300000000000002 111.059 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 45.5 m-20 -112.32 1.92 16.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.47999999999999998 110.75 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.3 mt -101.63 126.88 55.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.14 -0.482 . . . . 0.33000000000000002 110.674 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -124.09 122.43 37.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.071 -0.513 . . . . 2.1899999999999999 109.798 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.623 ' HE1' ' HB3' ' A' ' 38' ' ' SER . 74.0 m80 -56.86 129.12 40.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.52 -0.309 . . . . 1.3300000000000001 110.748 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.541 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . . . -105.81 137.47 43.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.232 -0.44 . . . . 0.56999999999999995 110.476 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.09 24.54 51.89 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.587 -0.816 . . . . 1.51 111.761 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.552 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 27.5 m -113.21 162.21 23.15 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 110.167 -0.309 . . . . 2.1600000000000001 110.167 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 10.7 Cg_endo -54.54 109.9 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.771 2.314 . . . . 2.8199999999999998 112.127 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.83 -36.14 4.41 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.059 -0.591 . . . . 3.9500000000000002 112.109 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.243 -0.884 . . . . 5.9000000000000004 110.002 -178.438 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.34 -0.244 . . . . 9.6500000000000004 110.34 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 32' ' ' THR . . . . . 0.422 ' O ' HG22 ' B' ' 35' ' ' VAL . 2.1 p -106.62 87.1 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.41 0.624 . . . . 8.6999999999999993 110.873 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.96 -123.64 8.09 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.674 -0.774 . . . . 6.0899999999999999 112.194 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -93.78 -8.67 60.49 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.691 -0.766 . . . . 3.6000000000000001 112.597 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.524 HG21 ' HA ' ' A' ' 76' ' ' ASP . 24.7 m -100.26 153.62 4.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.665 0.269 . . . . 2.8900000000000001 111.163 -177.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.205 0 CA-C-N 115.619 -0.719 . . . . 1.79 110.612 -177.846 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -93.5 149.63 37.55 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.439 -0.801 . . . . 3.0499999999999998 110.078 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.6 100.47 0.8 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.202 1.934 . . . . 1.23 111.984 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -88.22 112.7 23.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.954 -0.567 . . . . 2.3999999999999999 109.524 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -79.46 161.22 26.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.167 0.508 . . . . 4.75 110.644 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.515 -0.755 . . . . 3.3300000000000001 110.192 -176.501 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.485 ' HB3' ' HD2' ' A' ' 89' ' ' HIS . 16.0 m . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 110.224 -0.288 . . . . 2.1899999999999999 110.224 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -78.61 112.27 15.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.656 0.265 . . . . 3.9199999999999999 110.289 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.8 mt -98.81 130.48 45.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.037 0.446 . . . . 1.49 110.45 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -141.48 156.61 45.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.734 -0.666 . . . . 0.48999999999999999 109.746 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -66.85 119.72 12.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.789 0.328 . . . . 1.1000000000000001 110.86 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.59 4.01 34.71 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.896 -0.669 . . . . 0.46000000000000002 112.78 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -97.34 148.32 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.774 0.287 . . . . 1.0900000000000001 110.81 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -93.05 131.12 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.024 -0.535 . . . . 0.95999999999999996 109.574 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.7 m -136.61 158.81 37.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.151 0.5 . . . . 0.20999999999999999 111.491 -175.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.431 HD21 ' HE1' ' B' ' 39' ' ' HIS . 91.3 mt -97.59 111.23 23.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.402 -0.817 . . . . 0.54000000000000004 109.058 174.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.534 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 58.8 m -98.84 124.58 43.84 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.049 -0.523 . . . . 0.87 110.43 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.601 ' NH1' ' HA ' ' A' ' 86' ' ' ASP . 33.3 ttm180 -85.74 118.68 25.39 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.622 -0.717 . . . . 2.7599999999999998 110.113 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -93.52 175.71 6.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.887 -0.597 . . . . 0.88 109.933 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 m -56.51 -22.78 35.18 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.879 0.472 . . . . 1.6899999999999999 112.241 -175.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.13 -6.21 50.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.219 -0.446 . . . . 1.9099999999999999 111.654 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.44 12.58 80.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.62 111.539 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -108.53 156.14 19.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.497 -0.352 . . . . 0.63 110.454 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' B' ' 38' ' ' PRO . 73.6 m-85 -105.07 133.27 50.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.19 -0.459 . . . . 0.55000000000000004 110.527 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -119.64 152.74 36.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.552 -0.749 . . . . 0.55000000000000004 110.157 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.0 tp -92.5 126.61 37.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.888 0.375 . . . . 0.83999999999999997 110.885 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.607 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -153.16 163.62 30.64 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.654 -0.784 . . . . 0.20000000000000001 112.483 179.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -111.3 127.09 55.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.76 0.314 . . . . 0.91000000000000003 110.854 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.68 114.6 4.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.069 -0.514 . . . . 0.33000000000000002 110.593 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.517 ' HB3' HD12 ' A' ' 71' ' ' LEU . 3.5 tppp? -94.26 -42.32 8.99 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.885 -0.413 . . . . 1.0800000000000001 109.885 178.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 93.8 mtt180 -127.51 152.86 47.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.159 -0.473 . . . . 3.23 109.957 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.2 p -130.26 134.22 62.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.254 0.55 . . . . 1.0700000000000001 110.732 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.3 t -121.37 105.58 10.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.757 -0.656 . . . . 1.26 109.801 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.4 p -80.12 -32.54 39.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.34 -0.391 . . . . 1.26 110.989 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.404 ' HB2' ' HD2' ' A' ' 67' ' ' LYS . 14.4 m -67.13 -41.73 85.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.999 0.428 . . . . 1.25 110.848 -178.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -94.46 -4.15 48.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 2.2999999999999998 110.556 -179.487 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 53.0 61.45 3.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.682 -0.69 . . . . 1.6699999999999999 110.561 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.425 ' HB3' HD23 ' A' ' 83' ' ' LEU . 27.3 p -151.15 160.73 43.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.146 -0.934 . . . . 1.23 109.731 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.4 m -136.03 139.83 43.4 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.659 0.266 . . . . 1.05 110.611 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 61' ' ' LYS . 3.4 tm? -80.63 107.82 13.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.693 -1.225 . . . . 0.82999999999999996 107.693 173.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.48 HG21 ' SG ' ' A' ' 48' ' ' CYS . 62.4 t -105.01 129.94 56.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.936 -0.575 . . . . 0.20999999999999999 110.316 -176.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.8 m -106.38 101.49 10.96 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.699 -0.852 . . . . 0.34999999999999998 108.699 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.607 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 95.4 m-85 -69.47 173.75 5.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.404 -0.816 . . . . 0.29999999999999999 111.883 -171.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.23 -16.16 63.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.492 0.663 . . . . 2.3100000000000001 110.3 174.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.747 ' HB2' ' HB2' ' B' ' 36' ' ' M3L . 32.7 t70 -81.95 -3.67 54.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.251 -0.886 . . . . 1.8400000000000001 110.327 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.7 t30 74.01 -3.2 2.58 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.276 -0.874 . . . . 1.95 110.871 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 p -73.1 139.5 46.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.954 0.407 . . . . 1.3600000000000001 110.274 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HE3' HD11 ' A' ' 71' ' ' LEU . 25.4 mtpp -111.47 130.36 55.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.081 -0.509 . . . . 1.6299999999999999 109.876 -178.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -146.84 145.68 29.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.625 -0.261 . . . . 0.76000000000000001 110.862 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -87.11 108.1 18.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.195 -0.668 . . . . 0.31 109.195 172.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.434 ' HB ' HD11 ' A' ' 87' ' ' ILE . 19.0 t -104.68 142.93 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.366 -0.605 . . . . 0.44 109.366 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 69' ' ' SER . 65.5 mt -79.53 152.12 30.34 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.046 -0.353 . . . . 1.02 110.046 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 48.4 m0 -60.84 -26.88 67.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 0.47999999999999998 110.903 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -68.13 -7.34 29.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 2.9300000000000002 111.977 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.601 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 16.3 m-20 -128.82 9.76 5.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.652 0.263 . . . . 0.47999999999999998 111.302 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.434 HD11 ' HB ' ' A' ' 82' ' ' VAL . 70.3 mt -111.21 120.9 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.903 0.383 . . . . 0.33000000000000002 111.116 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -110.73 165.7 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.654 -0.703 . . . . 2.1899999999999999 109.469 176.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.485 ' HD2' ' HB3' ' A' ' 38' ' ' SER . 2.2 m-70 -85.67 143.95 28.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.684 0.278 . . . . 1.3300000000000001 110.928 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.61 137.0 44.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.404 . . . . 0.56999999999999995 110.505 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.32 13.9 67.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.903 -0.665 . . . . 1.51 112.613 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.559 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 32.7 m -113.17 162.27 22.83 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.359 -0.237 . . . . 2.1600000000000001 110.359 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.559 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 37.6 Cg_endo -67.46 -20.41 48.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.226 1.951 . . . . 2.8199999999999998 111.689 177.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 159.72 -61.87 0.3 Allowed Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.619 -0.719 . . . . 3.9500000000000002 111.883 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.579 -0.724 . . . . 5.9000000000000004 110.841 -177.925 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.87 0.367 . . . . 9.6500000000000004 110.542 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 12.6 p -107.13 -69.89 0.82 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.606 -0.27 . . . . 8.6999999999999993 110.958 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.1 45.27 95.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.165 -0.541 . . . . 6.0899999999999999 112.437 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -87.21 -171.05 47.17 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.849 -0.691 . . . . 3.6000000000000001 112.198 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.555 ' CG2' ' HA ' ' A' ' 76' ' ' ASP . 25.3 m -100.93 6.78 9.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.275 0.559 . . . . 2.8900000000000001 110.37 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' M3L . . . . . 0.747 ' HB2' ' HB2' ' A' ' 76' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.428 -0.805 . . . . 1.79 110.541 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -110.46 114.76 54.86 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.953 -0.567 . . . . 3.0499999999999998 110.419 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 59.2 Cg_endo -74.66 100.35 1.32 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.411 2.074 . . . . 1.23 112.016 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.431 ' HE1' HD21 ' A' ' 47' ' ' LEU . 14.1 p80 -94.95 13.81 23.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.674 0.274 . . . . 2.3999999999999999 111.25 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? 68.68 179.44 0.24 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.639 -0.71 . . . . 4.75 111.707 176.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 49.3 t80 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.654 -0.688 . . . . 3.3300000000000001 110.01 178.32 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 109.854 -0.424 . . . . 2.1899999999999999 109.854 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 65.44 81.95 0.19 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.456 0.646 . . . . 3.9199999999999999 110.337 -175.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' N ' HD22 ' A' ' 40' ' ' LEU . 2.4 mm? -117.19 136.72 52.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.281 -0.872 . . . . 1.49 109.795 -176.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.0 m -148.5 149.48 31.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.827 -0.434 . . . . 0.48999999999999999 109.827 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -65.15 144.93 56.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.895 0.379 . . . . 1.1000000000000001 110.802 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.495 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 88.04 10.86 68.41 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.837 -0.697 . . . . 0.46000000000000002 112.71 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -111.45 145.91 38.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.763 -0.257 . . . . 1.0900000000000001 110.677 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -87.56 134.83 33.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.888 0.375 . . . . 0.95999999999999996 110.28 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.411 HG23 ' SG ' ' A' ' 48' ' ' CYS . 13.0 m -142.24 153.16 18.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.019 -0.537 . . . . 0.20999999999999999 111.231 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 55' ' ' TYR . 78.8 mt -91.99 110.88 22.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.421 -0.955 . . . . 0.54000000000000004 108.421 172.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.589 ' SG ' HG21 ' A' ' 72' ' ' VAL . 57.5 m -100.83 118.61 37.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.894 0.378 . . . . 0.87 110.643 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.623 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 69.6 ttt-85 -79.77 129.36 34.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.629 -0.714 . . . . 2.7599999999999998 110.526 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -96.95 174.76 6.62 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.289 -0.634 . . . . 0.88 109.289 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -58.92 -21.23 57.56 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.07 0.462 . . . . 1.6899999999999999 111.696 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.15 -10.04 59.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.342 -0.39 . . . . 1.9099999999999999 110.943 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.35 -1.96 80.27 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.039 -0.6 . . . . 0.62 112.291 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.72 HD23 ' HD3' ' B' ' 40' ' ' ARG . 93.9 mt -88.93 151.81 22.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.408 -0.219 . . . . 0.63 110.408 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.792 ' HB2' ' HB2' ' B' ' 39' ' ' HIS . 54.9 m-85 -104.85 137.97 41.82 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.052 -0.722 . . . . 0.55000000000000004 109.052 176.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -125.26 138.9 54.1 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.636 0.255 . . . . 0.55000000000000004 110.523 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' HD2' ' B' ' 37' ' ' LYS . 0.5 OUTLIER -75.44 131.28 40.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.044 -0.526 . . . . 0.83999999999999997 110.562 -179.141 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.97 170.56 36.12 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.755 -0.657 . . . . 0.20000000000000001 111.719 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 74.9 tttt -115.85 125.16 52.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.581 0.229 . . . . 0.91000000000000003 110.693 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.24 114.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.33000000000000002 110.359 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -96.18 -34.97 11.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.814 -0.63 . . . . 1.0800000000000001 109.858 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.472 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 97.9 mtt180 -142.01 152.05 43.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.032 -0.531 . . . . 3.23 109.899 176.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 p -126.47 125.53 67.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.849 0.357 . . . . 1.0700000000000001 110.152 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -113.96 104.42 12.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.041 0.448 . . . . 1.26 110.251 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.613 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 13.1 p -69.55 -40.92 76.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.979 -0.555 . . . . 1.26 111.393 -178.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.0 m -69.44 -21.21 63.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.75 0.31 . . . . 1.25 111.654 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -106.76 -1.45 22.6 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.092 -0.243 . . . . 2.2999999999999998 111.054 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 53.3 36.75 23.59 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.544 0.528 . . . . 1.6699999999999999 111.501 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.662 ' HB3' HD23 ' A' ' 83' ' ' LEU . 1.5 p -147.93 161.21 41.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.947 -0.569 . . . . 1.23 110.718 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.7 m -125.91 147.87 49.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.285 -0.416 . . . . 1.05 110.633 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 62' ' ' ARG . 61.3 tp -88.37 108.08 19.16 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.434 -0.95 . . . . 0.82999999999999996 108.434 174.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.589 HG21 ' SG ' ' A' ' 48' ' ' CYS . 48.4 t -106.6 129.88 59.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.112 -0.494 . . . . 0.20999999999999999 111.206 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.6 m -93.43 102.21 14.43 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.115 -0.698 . . . . 0.34999999999999998 109.115 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.616 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 97.4 m-85 -77.54 178.03 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.118 0.485 . . . . 0.29999999999999999 111.566 -174.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.83 -16.32 64.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.579 -0.737 . . . . 2.3100000000000001 110.427 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 34.4 t70 -79.48 -4.37 50.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.374 -0.83 . . . . 1.8400000000000001 109.822 175.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 76' ' ' ASP . 24.1 t-20 77.76 -31.28 0.16 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.129 0.972 . . . . 1.95 111.632 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -61.94 137.11 58.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.794 0.331 . . . . 1.3600000000000001 110.63 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 47.7 mtmt -99.37 131.78 45.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.12 -0.491 . . . . 1.6299999999999999 110.275 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.616 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 99.3 m-85 -130.87 145.14 51.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.415 -0.357 . . . . 0.76000000000000001 110.395 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -84.85 109.14 17.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.199 -0.455 . . . . 0.31 110.074 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 48' ' ' CYS . 22.6 t -108.87 140.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.052 -0.522 . . . . 0.44 109.795 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.662 HD23 ' HB3' ' A' ' 69' ' ' SER . 95.9 mt -70.9 149.53 46.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.558 0.218 . . . . 1.02 110.593 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.613 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 54.2 m0 -58.28 -28.39 64.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.47999999999999998 111.248 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -68.64 -21.24 64.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.043 -0.526 . . . . 2.9300000000000002 111.26 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.623 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 30.1 m-20 -105.2 -7.63 18.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.383 -0.371 . . . . 0.47999999999999998 110.848 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 66.4 mt -95.42 115.9 35.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.29 0.567 . . . . 0.33000000000000002 110.976 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -112.38 151.0 30.31 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.105 -0.702 . . . . 2.1899999999999999 109.105 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -66.58 134.85 53.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.653 0.263 . . . . 1.3300000000000001 110.588 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.48 150.52 20.73 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.538 -0.542 . . . . 0.56999999999999995 109.538 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.02 18.28 54.37 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.568 -0.825 . . . . 1.51 111.287 -176.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.0 m -87.03 149.41 47.53 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.561 -0.32 . . . . 2.1600000000000001 110.522 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.04 178.8 6.05 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 122.64 2.227 . . . . 2.8199999999999998 111.839 175.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.51 93.37 0.71 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.713 -0.756 . . . . 3.9500000000000002 111.756 177.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.738 -0.649 . . . . 5.9000000000000004 110.066 -178.64 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.841 0.353 . . . . 9.6500000000000004 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 8.9 t -115.84 24.16 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.46 0.648 . . . . 8.6999999999999993 110.251 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.09 171.9 14.05 Favored Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.689 -0.687 . . . . 6.0899999999999999 111.805 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.97 23.32 29.51 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.989 -0.624 . . . . 3.6000000000000001 111.577 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -136.09 140.24 44.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 110.075 -0.342 . . . . 2.8900000000000001 110.075 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 116.323 -0.399 . . . . 1.79 110.052 179.7 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.464 ' HD2' HD12 ' A' ' 57' ' ' LEU . 55.0 mttp -65.05 116.9 34.13 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 3.0499999999999998 111.51 -177.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 46.1 Cg_endo -94.07 104.18 0.14 Allowed 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 123.498 2.799 . . . . 1.23 112.46 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.792 ' HB2' ' HB2' ' A' ' 55' ' ' TYR . 55.8 m80 -92.78 161.93 14.32 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.035 -0.53 . . . . 2.3999999999999999 110.09 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.72 ' HD3' HD23 ' A' ' 54' ' ' LEU . 9.1 tpt180 -152.13 110.69 3.77 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.811 -0.44 . . . . 4.75 109.811 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.4 -0.81 . . . . 3.3300000000000001 110.441 -177.617 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.459 ' HB2' ' HE1' ' A' ' 89' ' ' HIS . 16.0 p . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 120.683 0.278 . . . . 2.1899999999999999 110.293 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -75.66 124.12 26.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.589 -0.523 . . . . 3.9199999999999999 109.589 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.8 mt -106.91 161.22 14.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.265 0.555 . . . . 1.49 111.191 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.496 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 16.4 m -148.64 147.41 28.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.48999999999999999 109.662 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.515 ' OE2' ' HA ' ' A' ' 62' ' ' ARG . 29.0 mt-10 -73.3 151.91 41.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.737 0.303 . . . . 1.1000000000000001 110.757 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.518 ' HA2' ' HE2' ' A' ' 59' ' ' LYS . . . 79.39 13.57 82.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.124 -0.56 . . . . 0.46000000000000002 111.986 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.496 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 79.6 mt-30 -110.43 156.57 20.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.735 0.302 . . . . 1.0900000000000001 110.39 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 81.5 m-85 -99.42 129.76 45.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.915 -0.584 . . . . 0.95999999999999996 109.611 178.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.423 HG23 ' SG ' ' A' ' 48' ' ' CYS . 17.4 m -135.77 153.85 33.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.971 -0.559 . . . . 0.20999999999999999 111.56 -173.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.522 HD22 ' NE2' ' B' ' 39' ' ' HIS . 38.9 mt -92.97 110.73 22.2 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.508 -0.923 . . . . 0.54000000000000004 108.508 174.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.503 ' SG ' HG21 ' A' ' 72' ' ' VAL . 60.9 m -103.55 121.93 43.9 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.176 -0.466 . . . . 0.87 110.454 -175.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.544 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 25.0 ttt180 -82.05 115.97 21.43 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.943 -0.571 . . . . 2.7599999999999998 110.303 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -77.76 159.99 28.69 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.021 -0.733 . . . . 0.88 109.021 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 m -68.33 -0.03 4.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.196 0.522 . . . . 1.6899999999999999 111.502 -175.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -83.88 -15.71 47.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.159 0.504 . . . . 1.9099999999999999 110.215 175.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.82 2.76 55.16 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.884 -0.674 . . . . 0.62 112.528 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.2 mt -106.12 159.82 15.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.198 -0.297 . . . . 0.63 110.198 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 46.1 m-85 -106.37 144.01 33.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.879 0.371 . . . . 0.55000000000000004 110.47 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -130.21 155.48 46.19 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.826 -0.625 . . . . 0.55000000000000004 109.869 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.9 tp -96.24 136.36 36.82 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.119 -0.326 . . . . 0.83999999999999997 110.119 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.88 169.59 35.2 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.662 -0.78 . . . . 0.20000000000000001 112.144 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.518 ' HE2' ' HA2' ' A' ' 43' ' ' GLY . 45.3 tttm -116.61 124.9 50.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.648 0.261 . . . . 0.91000000000000003 110.341 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.16 113.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.33000000000000002 110.55 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -87.34 -40.11 14.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.92 -0.582 . . . . 1.0800000000000001 109.944 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.515 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 66.8 ttt180 -146.31 133.99 21.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.874 -0.603 . . . . 3.23 110.674 -177.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.497 HG23 ' SG ' ' A' ' 70' ' ' CYS . 10.8 p -105.41 141.73 20.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.436 -0.347 . . . . 1.0700000000000001 110.513 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.9 m -137.19 105.28 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.104 0.478 . . . . 1.26 110.623 176.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.457 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 14.0 p -71.72 -37.39 70.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.704 -0.68 . . . . 1.26 112.304 -175.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.1 m -65.71 -23.81 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.881 0.326 . . . . 1.25 111.881 -173.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -108.31 -1.59 19.94 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.103 -0.239 . . . . 2.2999999999999998 110.661 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 51.06 47.14 25.4 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.985 -0.552 . . . . 1.6699999999999999 111.03 -176.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -143.63 150.43 38.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.707 -0.679 . . . . 1.23 109.845 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.497 ' SG ' HG23 ' A' ' 63' ' ' VAL . 73.2 m -127.94 140.13 52.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.948 0.404 . . . . 1.05 110.77 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 79' ' ' LYS . 57.4 tp -80.03 108.63 13.77 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.821 -0.807 . . . . 0.82999999999999996 108.821 174.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.503 HG21 ' SG ' ' A' ' 48' ' ' CYS . 53.9 t -105.4 134.95 45.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.243 -0.435 . . . . 0.20999999999999999 110.998 -175.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.1 m -96.72 105.71 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.145 -0.687 . . . . 0.34999999999999998 109.145 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.707 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 98.2 m-85 -78.23 177.83 8.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.034 0.445 . . . . 0.29999999999999999 111.627 -174.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' B' ' 36' ' ' M3L . 18.5 mm-40 -57.25 -28.64 63.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.485 -0.779 . . . . 2.3100000000000001 111.882 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.762 ' HA ' ' HA2' ' B' ' 34' ' ' GLY . 12.1 p-10 -91.55 23.07 3.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.707 0.289 . . . . 1.8400000000000001 110.516 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.4 p30 53.84 21.78 2.94 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.755 1.222 . . . . 1.95 112.685 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 m -99.42 139.5 34.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.1 -0.333 . . . . 1.3600000000000001 110.1 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.759 ' HB3' HD11 ' A' ' 71' ' ' LEU . 98.0 mttt -100.66 131.7 46.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.086 -0.506 . . . . 1.6299999999999999 110.84 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.707 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 49.3 m-85 -142.21 144.96 33.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.21 -0.45 . . . . 0.76000000000000001 110.504 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -85.71 109.44 18.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.019 -0.537 . . . . 0.31 110.468 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.541 ' HB ' HD11 ' A' ' 87' ' ' ILE . 21.5 t -107.38 144.18 16.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.031 -0.729 . . . . 0.44 109.031 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.563 HD22 ' HE2' ' A' ' 85' ' ' LYS . 8.0 mp -79.98 153.92 28.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.816 0.341 . . . . 1.02 110.748 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 47.3 m0 -59.26 -27.15 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 0.47999999999999998 111.843 -176.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.563 ' HE2' HD22 ' A' ' 83' ' ' LEU . 62.7 pttt -63.01 -25.32 68.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 2.9300000000000002 111.578 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.544 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 59.4 m-20 -106.49 -6.85 17.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.704 0.288 . . . . 0.47999999999999998 111.193 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.541 HD11 ' HB ' ' A' ' 82' ' ' VAL . 67.9 mt -101.46 122.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.203 0.525 . . . . 0.33000000000000002 111.499 -176.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.415 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 26.9 mp0 -120.9 165.61 14.96 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.525 -0.917 . . . . 2.1899999999999999 108.525 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.459 ' HE1' ' HB2' ' A' ' 38' ' ' SER . 76.6 m80 -79.11 149.93 31.92 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.147 -0.316 . . . . 1.3300000000000001 110.147 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.84 141.37 33.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.759 0.314 . . . . 0.56999999999999995 110.622 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.94 7.62 70.38 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.877 -0.678 . . . . 1.51 113.121 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.3 m -83.99 161.81 54.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 122.789 -0.242 . . . . 2.1600000000000001 110.733 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -52.65 115.01 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.749 2.299 . . . . 2.8199999999999998 111.555 173.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.04 -15.86 5.82 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.005 -0.838 . . . . 3.9500000000000002 111.005 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--O 1.254 1.305 0 CA-C-O 118.513 -0.756 . . . . 5.9000000000000004 109.598 175.894 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 120.881 0.372 . . . . 9.6500000000000004 110.748 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.68 122.6 14.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.014 -0.539 . . . . 8.6999999999999993 110.838 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.56 -130.46 10.31 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.666 -0.778 . . . . 6.0899999999999999 111.842 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.762 ' HA2' ' HA ' ' A' ' 76' ' ' ASP . . . -145.1 -162.97 9.85 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.713 -0.756 . . . . 3.6000000000000001 112.224 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 64.0 t 62.27 93.83 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 123.092 0.557 . . . . 2.8900000000000001 111.261 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' M3L . . . . . 0.45 ' HA ' ' HB2' ' A' ' 75' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.17 -0.468 . . . . 1.79 111.035 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -86.18 123.68 71.31 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.016 -0.538 . . . . 3.0499999999999998 110.422 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.91 149.39 22.86 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.672 2.248 . . . . 1.23 112.311 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.522 ' NE2' HD22 ' A' ' 47' ' ' LEU . 17.3 p-80 -136.52 179.82 6.13 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.834 -0.621 . . . . 2.3999999999999999 110.076 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -112.09 178.43 4.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.421 -0.354 . . . . 4.75 110.303 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 84.6 t80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.558 -0.734 . . . . 3.3300000000000001 109.446 178.78 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 110.182 -0.303 . . . . 2.1899999999999999 110.182 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.5 tptp 62.96 102.74 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.579 0.704 . . . . 3.9199999999999999 111.732 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -94.25 145.21 24.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.638 -0.71 . . . . 1.49 109.799 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.8 m -136.49 148.76 47.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.816 0.341 . . . . 0.48999999999999999 110.409 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.28 125.51 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.247 -0.433 . . . . 1.1000000000000001 110.811 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.42 0.16 50.18 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.878 -0.677 . . . . 0.46000000000000002 112.51 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.25 140.75 32.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.891 0.377 . . . . 1.0900000000000001 111.106 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -88.92 122.76 32.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.967 -0.56 . . . . 0.95999999999999996 109.532 173.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.432 HG11 HD11 ' A' ' 60' ' ' ILE . 29.4 m -130.75 153.43 39.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.931 -0.577 . . . . 0.20999999999999999 110.89 -175.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.548 HD22 ' NE2' ' B' ' 39' ' ' HIS . 62.2 mt -86.55 110.22 19.65 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.176 -1.046 . . . . 0.54000000000000004 108.176 172.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.694 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 59.2 m -95.26 117.53 30.43 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.201 0.524 . . . . 0.87 109.788 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.595 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 70.0 ttt-85 -88.24 125.28 34.57 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.353 -0.839 . . . . 2.7599999999999998 109.81 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -85.16 164.85 17.88 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.982 -0.748 . . . . 0.88 108.982 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 m -63.5 -11.18 21.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.895 0.379 . . . . 1.6899999999999999 111.58 -176.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.52 -15.91 56.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.092 0.472 . . . . 1.9099999999999999 110.559 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.23 9.64 47.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.831 -0.7 . . . . 0.62 112.713 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.2 mt -107.24 152.64 23.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.779 -0.248 . . . . 0.63 110.586 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 36.8 m-85 -106.82 142.16 36.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.949 0.404 . . . . 0.55000000000000004 110.907 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -128.32 140.94 51.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.71 -0.677 . . . . 0.55000000000000004 109.234 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.6 tp -81.31 130.65 35.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.829 0.347 . . . . 0.83999999999999997 110.501 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -151.48 170.81 31.05 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.854 -0.688 . . . . 0.20000000000000001 112.474 -177.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -118.08 123.92 46.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.719 0.295 . . . . 0.91000000000000003 110.909 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.432 HD11 HG11 ' A' ' 46' ' ' VAL . 67.5 mt -66.38 124.26 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.33000000000000002 110.694 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -101.28 -53.06 3.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.335 -0.393 . . . . 1.0800000000000001 110.443 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -126.68 126.93 44.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.09 -0.504 . . . . 3.23 110.191 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.435 HG23 ' SG ' ' A' ' 70' ' ' CYS . 7.1 p -109.91 133.95 53.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.836 0.35 . . . . 1.0700000000000001 110.392 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.0 p -121.4 103.4 8.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.081 0.467 . . . . 1.26 110.366 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.587 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 20.6 t -68.24 -36.39 79.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 1.26 110.879 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.6 m -71.39 -16.65 62.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.968 0.413 . . . . 1.25 111.29 -177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -113.12 -9.56 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.108 -0.496 . . . . 2.2999999999999998 111.532 -174.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 56.6 43.46 25.55 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.184 0.516 . . . . 1.6699999999999999 110.782 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t -148.41 156.99 43.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 1.23 110.159 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.473 ' HG ' ' HE1' ' A' ' 84' ' ' TRP . 77.9 m -135.9 137.69 41.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.314 -0.403 . . . . 1.05 110.814 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.406 ' HB2' ' CE2' ' A' ' 81' ' ' TRP . 60.3 tp -79.95 108.61 13.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.58 -0.896 . . . . 0.82999999999999996 108.58 172.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.608 HG11 ' SG ' ' A' ' 48' ' ' CYS . 59.1 t -110.28 135.73 48.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.0 -0.546 . . . . 0.20999999999999999 110.884 -174.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.8 m -101.4 107.3 18.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.37 -0.604 . . . . 0.34999999999999998 109.37 174.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.694 ' HE1' ' HB2' ' A' ' 48' ' ' CYS . 91.8 m-85 -69.35 168.58 14.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.176 -0.466 . . . . 0.29999999999999999 110.144 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.29 -14.96 55.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.355 0.598 . . . . 2.3100000000000001 110.326 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.6 -1.18 29.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.436 -0.802 . . . . 1.8400000000000001 110.492 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 73.84 1.98 4.08 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.366 0.666 . . . . 1.95 110.901 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 p -89.71 139.4 30.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.256 -0.429 . . . . 1.3600000000000001 110.635 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 33.1 mtmm -108.38 131.8 54.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 1.6299999999999999 110.544 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -142.16 150.34 40.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.22 -0.445 . . . . 0.76000000000000001 110.478 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.406 ' CE2' ' HB2' ' A' ' 71' ' ' LEU . 82.2 m95 -88.1 109.23 19.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.393 -0.367 . . . . 0.31 110.208 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.431 ' HB ' HD11 ' A' ' 87' ' ' ILE . 25.3 t -104.61 144.09 15.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.208 -0.664 . . . . 0.44 109.208 177.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.4 mp -81.0 154.41 26.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.078 -0.341 . . . . 1.02 110.078 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.587 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 50.1 m0 -61.93 -23.64 66.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 0.47999999999999998 111.094 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -62.06 -21.37 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.756 -0.657 . . . . 2.9300000000000002 111.644 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 45.7 m-20 -121.55 12.55 10.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.644 0.259 . . . . 0.47999999999999998 111.073 -178.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.431 HD11 ' HB ' ' A' ' 82' ' ' VAL . 64.1 mt -112.32 120.59 62.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.861 0.363 . . . . 0.33000000000000002 110.88 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 6.0 tp60 -129.74 138.36 51.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.057 -0.519 . . . . 2.1899999999999999 109.924 178.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.479 ' HB2' HG21 ' A' ' 92' ' ' VAL . 66.5 m80 -63.64 142.93 58.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.709 0.29 . . . . 1.3300000000000001 111.473 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.77 133.72 47.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.489 -0.323 . . . . 0.56999999999999995 110.432 177.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.07 24.13 35.76 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.783 -0.723 . . . . 1.51 112.537 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 89' ' ' HIS . 34.8 m -122.41 147.88 51.11 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.678 0.275 . . . . 2.1600000000000001 110.68 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.36 -34.23 93.67 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.642 2.228 . . . . 2.8199999999999998 112.237 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 99.78 12.78 39.47 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.424 -0.671 . . . . 3.9500000000000002 111.424 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.326 -0.845 . . . . 5.9000000000000004 110.288 -176.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.396 0.141 . . . . 9.6500000000000004 110.813 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 35.4 p 49.46 -98.91 0.06 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.673 0.789 . . . . 8.6999999999999993 112.486 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.48 150.64 14.67 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.51 -0.636 . . . . 6.0899999999999999 111.51 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.19 16.17 33.41 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.783 -0.722 . . . . 3.6000000000000001 112.401 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 19.2 m -132.99 142.39 42.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.752 0.311 . . . . 2.8900000000000001 110.431 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 121.137 0.494 . . . . 1.79 110.801 178.824 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.704 ' HD3' ' H ' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -79.31 127.03 80.19 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.023 -0.535 . . . . 3.0499999999999998 110.361 178.424 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 3.5 Cg_exo -80.79 106.27 1.79 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 123.081 2.521 . . . . 1.23 111.402 176.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.548 ' NE2' HD22 ' A' ' 47' ' ' LEU . 31.0 p-80 -111.92 175.94 5.22 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.145 -0.48 . . . . 2.3999999999999999 110.483 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.95 170.56 8.02 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.283 -0.636 . . . . 4.75 109.283 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 16.4 t80 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.611 -0.709 . . . . 3.3300000000000001 110.083 179.119 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.519 0.2 . . . . 2.1899999999999999 111.075 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -72.69 107.95 5.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.967 0.413 . . . . 3.9199999999999999 110.567 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -101.79 134.14 45.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.989 -0.55 . . . . 1.49 110.777 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.7 m -112.98 146.42 39.08 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.614 -0.721 . . . . 0.48999999999999999 110.036 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' A' ' 60' ' ' ILE . 20.0 mt-10 -66.83 152.56 45.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.094 -0.503 . . . . 1.1000000000000001 111.583 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.505 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 80.31 18.87 70.49 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.879 -0.677 . . . . 0.46000000000000002 112.978 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -112.31 155.1 24.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.947 -0.39 . . . . 1.0900000000000001 109.947 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -93.95 132.03 38.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.951 0.405 . . . . 0.95999999999999996 110.167 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.7 m -136.12 156.0 36.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.909 -0.587 . . . . 0.20999999999999999 110.911 -177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 88' ' ' GLN . 59.4 mt -99.3 110.96 23.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.765 -0.828 . . . . 0.54000000000000004 108.765 176.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.674 ' HB3' HG21 ' A' ' 82' ' ' VAL . 57.3 m -96.19 118.19 32.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.095 -0.502 . . . . 0.87 111.028 -173.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.644 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 23.1 ttt180 -84.77 123.87 30.91 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.585 -0.734 . . . . 2.7599999999999998 110.904 -179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.522 ' HB2' ' HE2' ' A' ' 56' ' ' TYR . 4.9 t-105 -81.42 172.68 13.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.453 -0.794 . . . . 0.88 109.179 176.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 t -64.68 -12.01 41.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.017 0.436 . . . . 1.6899999999999999 110.956 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -82.91 -10.48 58.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 1.9099999999999999 111.386 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.57 -1.91 69.67 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.636 -0.792 . . . . 0.62 112.583 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 95.9 mt -89.35 148.7 23.37 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.112 -0.329 . . . . 0.63 110.112 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.724 ' HB2' ' HB2' ' B' ' 39' ' ' HIS . 51.1 m-85 -105.0 154.83 19.59 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.645 -0.502 . . . . 0.55000000000000004 109.645 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.522 ' HE2' ' HB2' ' A' ' 50' ' ' TRP . 89.3 m-85 -137.03 138.87 40.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.284 -0.265 . . . . 0.55000000000000004 110.284 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -75.27 122.43 23.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.029 0.442 . . . . 0.83999999999999997 110.927 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -150.41 170.93 30.33 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.801 -0.636 . . . . 0.20000000000000001 112.086 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 80.8 tttt -114.5 130.38 56.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.693 0.283 . . . . 0.91000000000000003 111.292 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.722 HG23 ' SG ' ' A' ' 70' ' ' CYS . 78.1 mt -60.83 111.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.33000000000000002 110.424 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -98.62 -32.16 11.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.83 -0.623 . . . . 1.0800000000000001 110.276 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -158.54 135.75 9.97 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.438 -0.579 . . . . 3.23 109.438 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.59 129.9 69.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.047 0.451 . . . . 1.0700000000000001 110.808 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.4 t -109.55 108.6 19.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.516 . . . . 1.26 110.275 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.464 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 14.2 p -74.0 -32.39 63.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.342 -0.39 . . . . 1.26 110.657 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.8 m -66.58 -41.92 87.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 1.25 111.397 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -93.46 -5.9 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.093 -0.243 . . . . 2.2999999999999998 111.641 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 58.52 37.19 25.56 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.226 0.536 . . . . 1.6699999999999999 109.889 -176.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.517 ' HB2' HD23 ' A' ' 83' ' ' LEU . 32.8 t -136.45 167.52 21.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.616 -0.72 . . . . 1.23 110.058 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.722 ' SG ' HG23 ' A' ' 60' ' ' ILE . 53.5 t -140.73 135.51 31.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.963 0.411 . . . . 1.05 111.021 -178.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.8 tp -81.3 108.99 15.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.934 -0.765 . . . . 0.82999999999999996 108.934 173.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 62.0 t -109.5 135.41 48.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.943 -0.571 . . . . 0.20999999999999999 111.03 -174.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 m -101.2 106.16 17.35 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.674 -0.491 . . . . 0.34999999999999998 109.674 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.462 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 85.3 m-85 -75.93 176.21 8.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.856 0.36 . . . . 0.29999999999999999 111.331 -176.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.28 -25.57 67.19 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.104 -0.498 . . . . 2.3100000000000001 110.814 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 77' ' ' ASN . 33.1 t70 -79.82 3.46 19.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.736 -0.666 . . . . 1.8400000000000001 110.569 177.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 4.6 m-20 72.22 -1.03 3.04 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.47 -0.786 . . . . 1.95 111.306 176.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.542 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . 0.8 OUTLIER -79.06 137.13 37.4 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.977 -0.556 . . . . 1.3600000000000001 110.357 177.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 50.8 mtmt -110.21 130.81 55.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.14 -0.482 . . . . 1.6299999999999999 110.313 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 78' ' ' SER . 97.5 m-85 -139.16 160.02 40.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.281 -0.418 . . . . 0.76000000000000001 109.966 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -96.25 112.38 24.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.455 -0.339 . . . . 0.31 110.289 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.674 HG21 ' HB3' ' A' ' 48' ' ' CYS . 21.5 t -110.76 130.87 63.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.37 -0.377 . . . . 0.44 110.047 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 69' ' ' SER . 96.6 mt -62.59 143.23 57.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.429 -0.35 . . . . 1.02 110.475 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.464 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 45.4 m0 -57.45 -24.83 57.98 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.208 0.528 . . . . 0.47999999999999998 110.527 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -61.76 -29.11 69.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.401 -0.818 . . . . 2.9300000000000002 111.135 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.644 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 46.1 m-20 -113.51 11.01 18.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.925 0.393 . . . . 0.47999999999999998 111.032 -175.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 62.1 mt -98.81 120.49 48.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.006 0.431 . . . . 0.33000000000000002 110.672 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 11.0 tp60 -105.8 163.16 12.93 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.388 -0.968 . . . . 2.1899999999999999 108.388 176.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -88.24 134.44 33.79 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.692 -0.403 . . . . 1.3300000000000001 109.957 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.16 121.82 27.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.56999999999999995 110.324 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.22 23.98 23.24 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.225 -0.75 . . . . 1.51 111.225 -176.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.559 HG22 ' H ' ' A' ' 94' ' ' GLY . 13.5 p -84.38 137.78 39.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.721 -0.474 . . . . 2.1600000000000001 109.721 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -56.6 -25.63 60.31 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.743 2.296 . . . . 2.8199999999999998 112.499 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.559 ' H ' HG22 ' A' ' 92' ' ' VAL . . . 115.04 1.72 22.28 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.765 -0.731 . . . . 3.9500000000000002 112.006 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.798 -0.62 . . . . 5.9000000000000004 109.577 179.325 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.427 -0.212 . . . . 9.6500000000000004 110.427 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 25.6 m -83.25 -53.77 5.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.829 0.347 . . . . 8.6999999999999993 110.649 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.15 -21.34 1.51 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.833 -0.699 . . . . 6.0899999999999999 112.279 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.47 ' N ' ' HA ' ' A' ' 76' ' ' ASP . . . 176.74 -179.76 47.56 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.74 -0.743 . . . . 3.6000000000000001 111.714 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 p -89.94 106.16 16.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.834 0.826 . . . . 2.8900000000000001 110.749 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' M3L . . . . . 0.425 ' HD2' HM23 ' B' ' 36' ' ' M3L . . . . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.145 -0.934 . . . . 1.79 109.608 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 22.1 pttm -73.41 129.42 85.76 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 3.0499999999999998 111.146 -176.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.568 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 3.3 Cg_exo -81.6 131.24 7.24 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.385 2.724 . . . . 1.23 112.276 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.724 ' HB2' ' HB2' ' A' ' 55' ' ' TYR . 75.2 m80 -99.38 135.64 40.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.869 -0.605 . . . . 2.3999999999999999 109.805 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' B' ' 40' ' ' ARG . 6.4 mpt_? -103.91 99.88 9.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.863 0.363 . . . . 4.75 110.843 -177.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.582 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 48.0 m-85 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.628 -0.701 . . . . 3.3300000000000001 110.219 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.457 ' HB3' ' CE1' ' A' ' 89' ' ' HIS . 16.0 m . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.806 0.336 . . . . 2.1899999999999999 110.271 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.91 133.63 34.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.15 0.5 . . . . 3.9199999999999999 110.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 84' ' ' TRP . 90.3 mt -108.67 141.68 40.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.232 -0.44 . . . . 1.49 111.526 -173.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.6 m -129.64 147.46 51.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.845 -0.616 . . . . 0.48999999999999999 109.811 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -70.66 140.23 51.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.903 0.382 . . . . 1.1000000000000001 110.696 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' HA2' ' HE2' ' A' ' 59' ' ' LYS . . . 99.28 -6.52 59.59 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.893 -0.67 . . . . 0.46000000000000002 111.965 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -91.98 146.45 23.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.708 0.29 . . . . 1.0900000000000001 110.728 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -89.06 126.07 35.28 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.62 -0.511 . . . . 0.95999999999999996 109.62 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' HB ' HG23 ' A' ' 87' ' ' ILE . 23.4 m -134.04 153.84 36.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.328 0.585 . . . . 0.20999999999999999 111.684 -175.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.9 mt -88.77 111.45 22.01 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.153 -0.93 . . . . 0.54000000000000004 108.964 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.493 ' SG ' HG11 ' A' ' 72' ' ' VAL . 35.6 m -98.64 119.86 38.1 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.794 -0.639 . . . . 0.87 110.247 -176.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.507 ' NH1' ' HA ' ' A' ' 86' ' ' ASP . 35.3 ttm180 -86.51 113.76 22.7 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.683 -0.69 . . . . 2.7599999999999998 110.479 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -83.21 173.14 11.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.042 -0.526 . . . . 0.88 109.606 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.3 m -63.27 -14.27 47.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 1.6899999999999999 111.756 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -76.11 -9.15 58.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.816 0.341 . . . . 1.9099999999999999 110.847 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.51 11.37 82.05 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.904 -0.665 . . . . 0.62 111.645 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.7 mt -103.7 156.94 17.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.09 -0.337 . . . . 0.63 110.09 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -105.77 135.63 46.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.034 0.445 . . . . 0.55000000000000004 110.761 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -127.04 136.24 51.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.802 -0.636 . . . . 0.55000000000000004 109.826 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -80.7 128.23 33.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.926 0.393 . . . . 0.83999999999999997 110.485 -178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -149.18 165.6 29.4 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.901 -0.666 . . . . 0.20000000000000001 111.859 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' HE2' ' HA2' ' A' ' 43' ' ' GLY . 52.3 tttm -107.56 124.73 50.36 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.564 0.221 . . . . 0.91000000000000003 110.709 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.07 111.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.43 -0.35 . . . . 0.33000000000000002 110.291 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -90.56 -34.43 15.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.033 0.444 . . . . 1.0800000000000001 110.147 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.437 ' HB3' ' HB3' ' A' ' 71' ' ' LEU . 74.6 ttt180 -146.79 134.86 21.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.782 -0.645 . . . . 3.23 109.986 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.562 HG23 ' SG ' ' A' ' 70' ' ' CYS . 9.1 p -107.98 135.16 47.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.584 -0.525 . . . . 1.0700000000000001 109.584 174.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.446 ' OG ' ' HD3' ' A' ' 67' ' ' LYS . 35.8 t -123.66 108.49 12.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.968 0.413 . . . . 1.26 110.631 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 56.5 p -73.59 -20.58 60.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.07 -0.514 . . . . 1.26 110.321 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.9 m -73.2 -37.91 66.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.156 -0.475 . . . . 1.25 110.999 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HD3' ' OG ' ' A' ' 64' ' ' SER . 4.3 mptp? -98.93 -6.09 29.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 2.2999999999999998 111.48 -177.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 58.11 32.46 22.03 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.055 0.455 . . . . 1.6699999999999999 110.749 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.668 ' HB3' HD23 ' A' ' 83' ' ' LEU . 19.1 p -141.72 167.03 23.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.81 -0.632 . . . . 1.23 110.469 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.562 ' SG ' HG23 ' A' ' 63' ' ' VAL . 75.7 m -130.01 139.92 50.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.086 -0.507 . . . . 1.05 110.396 177.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.457 HD21 ' HE2' ' A' ' 79' ' ' LYS . 57.9 tp -82.3 108.2 15.56 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.663 -0.866 . . . . 0.82999999999999996 108.663 175.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.493 HG11 ' SG ' ' A' ' 48' ' ' CYS . 58.7 t -103.37 137.13 32.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 116.189 -0.459 . . . . 0.20999999999999999 111.259 -173.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.8 m -101.31 110.27 22.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.548 -0.538 . . . . 0.34999999999999998 109.548 174.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.456 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 98.7 m-85 -81.95 -177.31 6.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.366 -0.379 . . . . 0.29999999999999999 111.142 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.3 -31.04 70.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.3 0.572 . . . . 2.3100000000000001 110.681 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.515 ' HB2' ' HB3' ' B' ' 36' ' ' M3L . 29.9 t70 -77.36 0.73 21.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.426 -0.806 . . . . 1.8400000000000001 110.57 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.3 t30 71.83 5.51 5.38 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.64 -0.709 . . . . 1.95 110.437 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.46 137.9 36.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.699 -0.682 . . . . 1.3600000000000001 110.501 178.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 45.6 mtpt -103.08 131.86 49.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.575 -0.739 . . . . 1.6299999999999999 110.01 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.456 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 73.6 m-85 -142.39 145.27 33.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.689 -0.232 . . . . 0.76000000000000001 110.601 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -84.41 109.46 17.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.211 -0.449 . . . . 0.31 110.491 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' A' ' 87' ' ' ILE . 21.0 t -107.91 137.07 41.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.389 -0.597 . . . . 0.44 109.389 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 69' ' ' SER . 95.5 mt -68.92 150.43 47.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.524 0.202 . . . . 1.02 110.733 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.572 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 51.5 m0 -56.18 -35.68 67.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 0.47999999999999998 110.696 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -65.16 -16.39 63.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.841 -0.618 . . . . 2.9300000000000002 111.859 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.507 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 36.4 m-20 -110.79 5.47 20.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.859 0.361 . . . . 0.47999999999999998 110.819 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.427 HG23 ' HB ' ' A' ' 46' ' ' VAL . 66.5 mt -111.68 116.77 53.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.217 -0.447 . . . . 0.33000000000000002 110.682 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -121.97 132.17 54.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.896 -0.593 . . . . 2.1899999999999999 109.962 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 38' ' ' SER . 67.3 m80 -58.47 135.52 57.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.989 0.366 . . . . 1.3300000000000001 111.989 -174.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.7 154.05 19.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.56999999999999995 110.129 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.97 11.71 64.78 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.833 -0.699 . . . . 1.51 112.049 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.495 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 27.8 m -136.22 161.67 60.96 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 109.986 -0.376 . . . . 2.1600000000000001 109.986 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.495 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 28.1 Cg_endo -63.65 -18.07 62.64 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.759 2.306 . . . . 2.8199999999999998 112.294 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 93.41 -54.76 2.41 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.857 -0.687 . . . . 3.9500000000000002 112.279 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 C--O 1.247 0.967 0 N-CA-C 109.146 -0.687 . . . . 5.9000000000000004 109.146 179.281 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.567 0.223 . . . . 9.6500000000000004 111.08 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 10.0 t -74.74 129.98 38.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.277 0.56 . . . . 8.6999999999999993 111.136 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.64 -142.47 6.98 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 115.566 -0.743 . . . . 6.0899999999999999 111.257 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.23 157.48 44.73 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.708 -0.758 . . . . 3.6000000000000001 111.841 177.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.5 125.12 25.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.613 0.244 . . . . 2.8900000000000001 110.557 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' M3L . . . . . 0.515 ' HB3' ' HB2' ' A' ' 76' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.058 -0.519 . . . . 1.79 109.668 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.472 ' HB2' ' HE2' ' B' ' 37' ' ' LYS . 0.5 OUTLIER -122.53 152.88 62.22 Favored Pre-proline 0 C--N 1.323 -0.578 0 C-N-CA 120.874 -0.33 . . . . 3.0499999999999998 110.354 -178.814 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.93 136.52 61.91 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.262 1.975 . . . . 1.23 110.272 170.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.483 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 38.6 t60 -80.21 -19.5 46.85 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.899 -0.321 . . . . 2.3999999999999999 110.815 -174.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' B' ' 39' ' ' HIS . 10.7 mpt_? 71.31 153.74 0.13 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.67 0.606 . . . . 4.75 110.559 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 41.0 t80 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.344 -0.836 . . . . 3.3300000000000001 109.513 -178.609 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 110.276 -0.268 . . . . 2.1899999999999999 110.276 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -77.13 115.7 17.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 3.9199999999999999 110.113 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.43 135.43 49.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.133 0.492 . . . . 1.49 111.144 -176.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.55 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 40.4 m -134.83 144.33 47.53 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.526 -0.761 . . . . 0.48999999999999999 109.424 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.541 ' HG2' HG23 ' A' ' 63' ' ' VAL . 30.6 mt-10 -70.24 134.52 48.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.944 0.402 . . . . 1.1000000000000001 110.557 -177.089 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.8 -3.66 60.9 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.95 -0.643 . . . . 0.46000000000000002 112.262 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.55 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 55.7 mt-30 -95.19 151.23 19.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.622 0.249 . . . . 1.0900000000000001 110.398 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -90.44 137.32 32.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.896 -0.409 . . . . 0.95999999999999996 109.896 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 60' ' ' ILE . 16.1 m -139.85 163.16 25.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.264 0.554 . . . . 0.20999999999999999 111.377 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.553 HD22 ' CE1' ' B' ' 39' ' ' HIS . 26.7 mt -102.39 111.09 23.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.446 -0.946 . . . . 0.54000000000000004 108.446 176.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.456 ' SG ' HG11 ' A' ' 72' ' ' VAL . 59.1 m -98.89 123.21 43.01 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.874 0.369 . . . . 0.87 110.803 -175.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 60.2 ttt180 -89.32 110.85 21.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.964 -0.562 . . . . 2.7599999999999998 110.074 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -82.37 178.26 8.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.069 -0.514 . . . . 0.88 110.079 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 t -63.22 -15.62 57.59 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.012 0.434 . . . . 1.6899999999999999 111.675 -175.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -76.46 -8.13 56.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.053 0.454 . . . . 1.9099999999999999 110.664 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.2 -2.3 86.72 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.954 -0.566 . . . . 0.62 112.134 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.53 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 89.4 mt -95.31 160.94 14.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.717 0.294 . . . . 0.63 110.816 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.454 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 43.8 m-85 -105.39 139.07 40.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.101 -0.5 . . . . 0.55000000000000004 110.708 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -127.35 145.54 50.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.515 -0.766 . . . . 0.55000000000000004 109.55 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -82.85 132.94 35.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.872 0.367 . . . . 0.83999999999999997 110.923 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.81 168.64 33.92 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.956 -0.64 . . . . 0.20000000000000001 112.02 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -112.09 128.04 56.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.45 0.167 . . . . 0.91000000000000003 110.802 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.47 HD11 HG11 ' A' ' 46' ' ' VAL . 64.4 mt -64.77 120.75 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.33000000000000002 110.249 178.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 14.1 tppt? -97.98 -43.81 6.92 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.139 -0.482 . . . . 1.0800000000000001 110.367 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.491 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 65.6 ttt180 -145.93 133.67 21.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.235 -0.438 . . . . 3.23 110.737 -178.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.541 HG23 ' HG2' ' A' ' 42' ' ' GLU . 75.4 t -100.72 124.38 54.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.636 -0.257 . . . . 1.0700000000000001 110.898 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.1 t -106.23 102.6 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.489 -0.56 . . . . 1.26 109.489 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 17.2 m -73.24 -28.79 62.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.788 -0.642 . . . . 1.26 110.975 -176.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 p -73.38 -41.21 63.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.987 -0.552 . . . . 1.25 111.642 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -91.9 -6.21 51.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.65 -0.25 . . . . 2.2999999999999998 111.564 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 61.0 35.65 18.9 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.986 0.422 . . . . 1.6699999999999999 110.854 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.7 p -136.21 160.05 39.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.975 -0.557 . . . . 1.23 110.833 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.404 ' SG ' HG22 ' A' ' 63' ' ' VAL . 93.9 m -128.67 138.1 51.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.078 -0.51 . . . . 1.05 110.366 176.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' ' 79' ' ' LYS . 61.9 tp -79.62 108.78 13.43 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.416 -0.957 . . . . 0.82999999999999996 108.416 173.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.456 HG11 ' SG ' ' A' ' 48' ' ' CYS . 58.2 t -108.53 137.74 38.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 116.161 -0.472 . . . . 0.20999999999999999 110.551 -174.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.3 m -103.01 108.7 19.97 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.657 -0.497 . . . . 0.34999999999999998 109.657 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.418 ' CE2' ' HD2' ' A' ' 80' ' ' TYR . 98.5 m-85 -74.99 176.29 7.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.274 -0.421 . . . . 0.29999999999999999 111.178 -177.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.2 -22.13 66.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 2.3100000000000001 111.788 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.465 ' HB2' ' HB3' ' B' ' 36' ' ' M3L . 31.0 t70 -86.89 6.13 33.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.96 0.41 . . . . 1.8400000000000001 110.29 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 69.11 19.69 7.91 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.142 0.972 . . . . 1.95 109.492 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -80.51 133.03 35.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.15 -0.932 . . . . 1.3600000000000001 109.75 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.467 ' HB3' HD11 ' A' ' 71' ' ' LEU . 53.3 mtpt -108.77 130.32 55.38 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.11 -0.33 . . . . 1.6299999999999999 110.11 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.418 ' HD2' ' CE2' ' A' ' 74' ' ' PHE . 80.0 m-85 -147.1 156.59 43.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.76000000000000001 110.628 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -97.85 108.72 21.49 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.686 -0.487 . . . . 0.31 109.686 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.412 ' HB ' HD11 ' A' ' 87' ' ' ILE . 15.3 t -105.42 136.43 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.396 -0.366 . . . . 0.44 110.106 -178.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.58 143.26 57.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.303 -0.408 . . . . 1.02 110.696 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 50.4 m0 -55.92 -34.58 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.47999999999999998 111.589 -177.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -61.7 -28.4 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 2.9300000000000002 111.573 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -101.22 3.46 40.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.39 -0.368 . . . . 0.47999999999999998 111.124 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.412 HD11 ' HB ' ' A' ' 82' ' ' VAL . 71.8 mt -102.38 119.73 51.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.262 0.553 . . . . 0.33000000000000002 110.829 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -110.36 165.72 11.55 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.3 -1.0 . . . . 2.1899999999999999 108.3 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.531 ' O ' HG22 ' A' ' 92' ' ' VAL . 38.1 m80 -80.03 147.82 31.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.302 0.501 . . . . 1.3300000000000001 110.407 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.38 127.81 32.56 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.948 -0.301 . . . . 0.56999999999999995 110.757 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.28 16.39 47.09 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.695 -0.765 . . . . 1.51 113.009 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 89' ' ' HIS . 20.2 m -107.03 135.24 19.6 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.865 0.332 . . . . 2.1600000000000001 110.375 177.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.61 -44.11 4.8 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.607 2.205 . . . . 2.8199999999999998 112.771 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.2 88.05 0.12 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.578 -0.82 . . . . 3.9500000000000002 112.28 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 119.154 -0.45 . . . . 5.9000000000000004 110.639 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.84 0.352 . . . . 9.6500000000000004 110.547 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 7.7 m -72.76 -28.8 62.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.122 -0.49 . . . . 8.6999999999999993 110.642 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.56 -145.74 4.77 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 121.014 -0.612 . . . . 6.0899999999999999 111.795 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.85 -157.49 29.75 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.05 -0.595 . . . . 3.6000000000000001 111.895 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.07 117.4 53.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.814 0.34 . . . . 2.8900000000000001 110.637 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' M3L . . . . . 0.465 ' HB3' ' HB2' ' A' ' 76' ' ' ASP . . . . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.178 0.513 . . . . 1.79 109.9 177.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -134.72 150.86 74.65 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 115.803 -0.635 . . . . 3.0499999999999998 109.944 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -70.13 141.07 42.77 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.233 1.955 . . . . 1.23 111.717 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.553 ' CE1' HD22 ' A' ' 47' ' ' LEU . 42.4 p-80 -96.8 9.2 42.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.983 -0.553 . . . . 2.3999999999999999 110.374 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.69 97.52 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.42 -0.809 . . . . 4.75 111.094 -177.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 29.3 t80 . . . . . 0 C--O 1.244 0.78 0 CA-C-N 116.067 -0.515 . . . . 3.3300000000000001 109.773 177.863 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 121.119 0.485 . . . . 1.49 111.011 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.6 m -132.55 154.4 50.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.218 -0.901 . . . . 0.49 109.467 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -70.64 139.98 51.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.919 0.39 . . . . 1.1 111.038 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.5 -7.95 77.35 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.013 -0.613 . . . . 0.46 112.71 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -76.59 136.24 39.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.82 0.343 . . . . 1.09 110.855 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 96.8 m-85 -85.27 125.28 32.77 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.342 -0.984 . . . . 0.96 108.342 170.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 m -133.76 161.18 41.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.31 0.576 . . . . 0.21 111.581 -173.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 55' ' ' TYR . 84.0 mt -104.28 110.56 22.83 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.127 -0.942 . . . . 0.54 108.718 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.508 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 62.7 m -92.64 122.95 35.56 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.933 -0.576 . . . . 0.87 109.827 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.483 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . 32.1 ttt180 -85.16 110.02 18.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.733 -0.667 . . . . 2.76 110.329 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -80.74 178.42 8.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.517 -0.765 . . . . 0.88 110.274 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -70.9 -0.75 9.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.21 0.529 . . . . 1.69 111.741 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -85.46 -12.46 51.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.541 . . . . 1.91 110.355 174.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.65 -2.23 85.97 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.401 -0.68 . . . . 0.62 111.401 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.5 mt -96.5 160.33 14.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.345 -0.428 . . . . 0.63 110.295 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.551 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . 84.4 m-85 -105.35 139.69 39.6 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.107 -0.497 . . . . 0.55 110.434 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.02 142.78 49.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.53 -0.759 . . . . 0.55 110.055 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.3 tp -84.67 133.65 34.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.784 0.326 . . . . 0.84 110.83 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.25 169.14 36.04 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.023 -0.608 . . . . 0.2 112.172 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.5 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 42.7 tttm -114.47 126.84 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.645 0.26 . . . . 0.91 110.792 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.1 mt -68.76 116.51 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.33 110.263 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -95.01 -42.05 8.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.045 0.45 . . . . 1.08 110.318 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -137.24 137.0 38.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.817 -0.629 . . . . 3.23 110.12 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.454 HG23 ' SG ' ' A' ' 70' ' ' CYS . 9.2 p -117.92 138.86 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 110.091 -0.337 . . . . 1.07 110.091 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -134.9 114.67 12.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.09 0.472 . . . . 1.26 110.959 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.596 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 6.1 p -69.22 -44.45 72.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.613 -0.721 . . . . 1.26 112.316 -175.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.4 m -65.2 -39.1 92.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.8 0.333 . . . . 1.25 111.202 -177.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -76.41 -22.12 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.361 -0.381 . . . . 2.3 111.218 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 63.27 29.77 15.81 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.382 0.61 . . . . 1.67 110.396 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.3 m -139.62 157.51 45.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.716 -0.674 . . . . 1.23 110.114 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' A' ' 63' ' ' VAL . 73.2 m -121.44 141.02 51.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.242 -0.435 . . . . 1.05 110.245 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 ' HB3' ' A' ' 79' ' ' LYS . 53.5 tp -82.36 108.15 15.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.746 -0.835 . . . . 0.83 108.746 174.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 54.5 t -110.87 137.75 41.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.826 -0.625 . . . . 0.21 110.643 -174.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 78' ' ' SER . 76.5 m -102.43 109.43 21.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.824 -0.436 . . . . 0.35 109.824 174.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.514 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 99.4 m-85 -74.73 179.71 4.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.5 . . . . 0.3 111.249 -176.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.43 -30.4 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.843 -0.617 . . . . 2.31 111.499 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -90.1 17.44 6.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.024 0.44 . . . . 1.84 110.538 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 69.24 13.74 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.448 -0.796 . . . . 1.95 111.931 172.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 73' ' ' THR . 62.4 p -83.24 140.66 32.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.282 -0.266 . . . . 1.36 110.282 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.646 ' HB3' HD11 ' A' ' 71' ' ' LEU . 38.6 mtmm -107.31 130.47 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.995 0.426 . . . . 1.63 110.475 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.514 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 64.5 m-85 -141.42 154.23 45.48 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.878 -0.601 . . . . 0.76 110.476 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -95.69 108.33 20.62 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.492 -0.559 . . . . 0.31 109.492 173.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.3 t -105.46 136.77 38.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.897 -0.592 . . . . 0.44 109.888 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.422 ' O ' HG13 ' A' ' 87' ' ' ILE . 52.1 mt -61.86 144.18 55.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.452 -0.34 . . . . 1.02 110.77 177.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.596 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 53.5 m0 -57.33 -31.26 65.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.48 111.081 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' ' 83' ' ' LEU . 21.4 ptmt -69.62 -16.04 63.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.02 -0.536 . . . . 2.93 111.352 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -107.46 0.53 22.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.89 0.376 . . . . 0.48 111.011 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 83' ' ' LEU . 70.2 mt -105.34 118.43 52.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.196 0.522 . . . . 0.33 110.911 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -112.14 148.53 33.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.673 -0.694 . . . . 2.19 109.512 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -73.15 146.42 45.67 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.112 -0.329 . . . . 1.33 110.112 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 120.802 0.334 . . . . 0.57 110.262 177.191 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.574 HD12 HD11 ' A' ' 60' ' ' ILE . 3.0 mm? . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.141 0.495 . . . . 1.49 111.157 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.477 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 54.3 m -139.83 142.06 36.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.659 -0.7 . . . . 0.49 109.441 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.563 ' HA ' HG22 ' A' ' 60' ' ' ILE . 72.5 mt-10 -71.93 142.71 49.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.979 0.419 . . . . 1.1 111.256 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.506 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 89.38 17.44 55.26 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.587 -0.733 . . . . 0.46 112.378 -177.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.477 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 12.4 mt-30 -118.63 155.97 30.04 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.305 -0.257 . . . . 1.09 110.305 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -96.83 131.3 43.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.264 0.554 . . . . 0.96 110.746 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.554 ' HB ' ' O ' ' A' ' 88' ' ' GLN . 24.5 m -134.4 155.34 38.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.499 -0.773 . . . . 0.21 110.889 -176.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.3 mt -98.38 110.69 23.24 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.572 -0.899 . . . . 0.54 108.572 170.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.693 ' HB3' ' HE1' ' A' ' 74' ' ' PHE . 53.7 t -96.21 121.38 37.92 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.737 -0.665 . . . . 0.87 110.097 -175.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -84.18 137.37 33.55 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.827 -0.624 . . . . 2.76 109.936 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.622 ' HB2' ' HE2' ' A' ' 56' ' ' TYR . 7.9 t-105 -100.22 168.52 9.75 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.836 -0.62 . . . . 0.88 109.507 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 p -66.93 -9.46 38.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 1.69 111.423 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.4 3.76 51.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 1.91 111.205 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.92 25.22 64.98 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.938 -0.648 . . . . 0.62 112.925 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -122.0 156.21 33.95 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.847 -0.427 . . . . 0.63 109.847 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.72 148.66 28.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.783 0.325 . . . . 0.55 110.759 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.622 ' HE2' ' HB2' ' A' ' 50' ' ' TRP . 66.0 m-85 -137.43 131.78 32.45 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.989 -0.551 . . . . 0.55 110.193 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 tp -78.15 136.0 37.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.93 0.395 . . . . 0.84 110.843 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.2 164.75 34.54 Favored Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 120.955 -0.641 . . . . 0.2 112.098 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.506 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 77.4 tttt -103.61 126.45 50.76 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.411 -0.218 . . . . 0.91 110.411 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.685 HG23 ' SG ' ' A' ' 70' ' ' CYS . 73.8 mt -60.19 111.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.922 0.391 . . . . 0.33 110.115 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -88.83 -45.66 9.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.816 -0.629 . . . . 1.08 110.015 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.415 ' HA ' ' CD ' ' A' ' 42' ' ' GLU . 67.5 ttt180 -149.75 126.77 11.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.535 -0.757 . . . . 3.23 110.016 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.518 HG12 ' HG3' ' A' ' 42' ' ' GLU . 11.0 p -110.67 133.01 57.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.128 0.49 . . . . 1.07 110.534 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.8 p -112.05 105.15 13.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.093 -0.503 . . . . 1.26 110.545 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.668 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 11.0 p -71.8 -31.3 66.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.912 -0.585 . . . . 1.26 111.433 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.5 m -69.55 -33.52 72.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.231 0.539 . . . . 1.25 110.62 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -97.37 -4.77 37.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.719 -0.673 . . . . 2.3 111.195 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 54.9 31.35 15.66 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.029 -0.532 . . . . 1.67 111.49 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.538 ' HB3' HD23 ' A' ' 83' ' ' LEU . 1.4 p -138.07 163.34 31.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.958 -0.565 . . . . 1.23 110.214 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.685 ' SG ' HG23 ' A' ' 60' ' ' ILE . 44.1 t -133.73 141.83 47.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.106 0.479 . . . . 1.05 111.436 -176.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.7 tp -88.5 108.85 19.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.351 -0.841 . . . . 0.83 109.168 172.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 37.1 t -104.32 132.22 51.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.061 -0.518 . . . . 0.21 110.699 -175.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.2 m -96.79 96.12 8.35 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.334 -0.617 . . . . 0.35 109.334 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.693 ' HE1' ' HB3' ' A' ' 48' ' ' CYS . 92.8 m-85 -71.61 171.75 10.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.118 -0.492 . . . . 0.3 111.258 -173.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.32 -20.07 62.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.399 0.618 . . . . 2.31 109.929 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 78' ' ' SER . 36.7 t70 -77.9 -1.53 32.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.29 -0.868 . . . . 1.84 110.602 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.8 t30 76.08 -31.62 0.2 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.77 0.828 . . . . 1.95 110.937 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 76' ' ' ASP . 19.6 m -59.12 133.86 56.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.069 -0.514 . . . . 1.36 110.577 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 47.5 mtpt -110.08 131.16 55.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.827 -0.624 . . . . 1.63 109.924 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -136.15 156.98 47.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.716 0.293 . . . . 0.76 110.786 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -97.61 121.69 39.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.871 -0.604 . . . . 0.31 109.917 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.551 HG21 ' SG ' ' A' ' 48' ' ' CYS . 21.4 t -129.15 144.4 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.472 -0.331 . . . . 0.44 110.35 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 69' ' ' SER . 96.3 mt -64.22 150.89 44.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.864 0.364 . . . . 1.02 110.799 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.668 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 53.8 m0 -64.61 -21.05 66.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.48 111.606 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -64.89 -13.91 58.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.41 -0.359 . . . . 2.93 111.724 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -117.74 -9.24 10.75 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.762 0.282 . . . . 0.48 111.762 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.536 HD11 ' HB ' ' A' ' 82' ' ' VAL . 77.1 mt -98.07 117.63 43.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.049 0.452 . . . . 0.33 111.158 -175.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.554 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 63.0 mt-30 -117.96 165.28 13.89 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.852 -0.613 . . . . 2.19 109.786 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -90.58 142.6 27.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.726 0.298 . . . . 1.33 111.494 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.389 . . . . 0.57 110.232 176.763 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.051 0.453 . . . . 1.49 110.551 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.401 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 7.9 m -131.84 147.02 52.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.678 -0.692 . . . . 0.49 109.769 -177.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.473 ' OE2' ' HA ' ' A' ' 62' ' ' ARG . 27.6 mt-10 -73.59 152.64 40.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.812 0.339 . . . . 1.1 110.75 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.486 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 88.43 -8.84 77.73 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.46 112.194 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 19.9 mt-30 -86.76 144.08 27.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.845 0.355 . . . . 1.09 110.769 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -90.8 122.93 33.95 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.557 -0.905 . . . . 0.96 108.557 174.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 m -128.68 152.77 37.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.248 0.547 . . . . 0.21 111.556 -175.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.541 ' HG ' ' HB2' ' A' ' 90' ' ' ALA . 56.8 mt -87.51 111.11 20.85 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.212 -0.904 . . . . 0.54 108.893 175.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.518 ' SG ' HG11 ' A' ' 72' ' ' VAL . 57.0 m -100.76 118.1 36.18 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.262 -0.426 . . . . 0.87 110.231 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.616 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 70.4 ttt180 -73.92 105.25 5.1 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.512 0.672 . . . . 2.76 109.778 177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -87.43 -179.01 6.29 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.138 -0.937 . . . . 0.88 110.623 -172.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.9 m -64.36 -16.33 62.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.982 -0.553 . . . . 1.69 112.291 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -76.1 -10.16 59.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 1.91 110.454 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.99 0.49 85.52 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.775 -0.726 . . . . 0.62 111.494 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.99 170.91 7.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.522 -0.339 . . . . 0.63 110.169 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -105.14 136.31 44.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.961 0.41 . . . . 0.55 110.137 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -128.19 133.22 48.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.781 -0.645 . . . . 0.55 110.444 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.8 tp -73.91 128.84 36.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.081 0.467 . . . . 0.84 111.027 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -147.26 164.55 28.67 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.448 -0.661 . . . . 0.2 111.448 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.486 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 82.7 tttt -105.25 125.68 51.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.951 0.375 . . . . 0.91 111.476 -178.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.459 HG23 ' HB3' ' A' ' 70' ' ' CYS . 65.8 mt -70.96 116.24 12.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.33 110.27 177.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -100.25 -25.66 14.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.575 0.226 . . . . 1.08 110.711 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.473 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 64.9 ttt180 -149.37 149.21 30.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.322 -0.399 . . . . 3.23 110.008 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.3 t -120.67 126.89 75.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.683 0.278 . . . . 1.07 110.657 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.5 t -108.23 101.84 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.242 -0.651 . . . . 1.26 109.242 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.412 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 15.5 m -74.65 -30.44 61.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.979 -0.555 . . . . 1.26 111.65 -174.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.2 p -72.09 -31.06 65.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.188 0.518 . . . . 1.25 111.073 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -96.48 -6.86 36.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.955 -0.566 . . . . 2.3 110.942 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 55.65 42.96 28.9 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.399 0.618 . . . . 1.67 110.237 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.532 ' HB2' HD23 ' A' ' 83' ' ' LEU . 23.2 t -144.14 146.74 32.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.547 -0.751 . . . . 1.23 109.94 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.459 ' HB3' HG23 ' A' ' 60' ' ' ILE . 70.8 m -116.46 145.47 43.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.895 0.379 . . . . 1.05 110.947 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' A' ' 79' ' ' LYS . 45.1 tp -79.73 107.98 12.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.286 -1.005 . . . . 0.83 108.286 171.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.518 HG11 ' SG ' ' A' ' 48' ' ' CYS . 61.5 t -112.91 131.15 65.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.993 -0.549 . . . . 0.21 110.793 -174.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.419 ' OG1' ' HG2' ' A' ' 79' ' ' LYS . 20.2 m -101.29 106.05 17.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.526 -0.546 . . . . 0.35 109.526 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.452 ' HE1' ' HB2' ' A' ' 48' ' ' CYS . 94.3 m-85 -71.59 176.12 5.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.56 . . . . 0.3 110.333 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -59.11 -20.2 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.232 0.539 . . . . 2.31 110.905 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.38 -1.12 28.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.536 -0.756 . . . . 1.84 110.497 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.3 m120 69.13 7.25 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.451 -0.795 . . . . 1.95 111.056 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.9 m -97.0 135.27 39.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.507 -0.769 . . . . 1.36 109.677 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HB3' HD11 ' A' ' 71' ' ' LEU . 53.3 mttp -96.67 131.7 43.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.474 -0.33 . . . . 1.63 110.899 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.429 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 84.2 m-85 -139.85 159.16 42.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.96 -0.564 . . . . 0.76 109.806 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -97.29 112.37 24.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.112 0.482 . . . . 0.31 110.472 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' A' ' 48' ' ' CYS . 18.8 t -105.32 139.09 27.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.63 . . . . 0.44 109.413 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' A' ' 69' ' ' SER . 94.7 mt -72.74 147.35 45.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.706 -0.224 . . . . 1.02 110.425 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.412 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 46.7 m0 -57.16 -26.07 59.98 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.183 0.516 . . . . 0.48 110.403 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -67.47 -21.65 65.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.276 -0.875 . . . . 2.93 111.059 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 45.5 m-20 -112.32 1.92 16.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.48 110.75 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.3 mt -101.63 126.88 55.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.14 -0.482 . . . . 0.33 110.674 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -124.09 122.43 37.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.071 -0.513 . . . . 2.19 109.798 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -56.86 129.12 40.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.52 -0.309 . . . . 1.33 110.748 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.541 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.232 -0.44 . . . . 0.57 110.476 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 121.037 0.446 . . . . 1.49 110.45 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -141.48 156.61 45.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.734 -0.666 . . . . 0.49 109.746 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -66.85 119.72 12.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.789 0.328 . . . . 1.1 110.86 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.59 4.01 34.71 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.896 -0.669 . . . . 0.46 112.78 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -97.34 148.32 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.774 0.287 . . . . 1.09 110.81 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -93.05 131.12 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.024 -0.535 . . . . 0.96 109.574 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.7 m -136.61 158.81 37.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.151 0.5 . . . . 0.21 111.491 -175.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.3 mt -97.59 111.23 23.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.402 -0.817 . . . . 0.54 109.058 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.534 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 58.8 m -98.84 124.58 43.84 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.049 -0.523 . . . . 0.87 110.43 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.601 ' NH1' ' HA ' ' A' ' 86' ' ' ASP . 33.3 ttm180 -85.74 118.68 25.39 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.622 -0.717 . . . . 2.76 110.113 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -93.52 175.71 6.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.887 -0.597 . . . . 0.88 109.933 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 m -56.51 -22.78 35.18 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.879 0.472 . . . . 1.69 112.241 -175.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.13 -6.21 50.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.219 -0.446 . . . . 1.91 111.654 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.44 12.58 80.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.62 111.539 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -108.53 156.14 19.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.497 -0.352 . . . . 0.63 110.454 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -105.07 133.27 50.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.19 -0.459 . . . . 0.55 110.527 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -119.64 152.74 36.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.552 -0.749 . . . . 0.55 110.157 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.0 tp -92.5 126.61 37.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.888 0.375 . . . . 0.84 110.885 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.607 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -153.16 163.62 30.64 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.654 -0.784 . . . . 0.2 112.483 179.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -111.3 127.09 55.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.76 0.314 . . . . 0.91 110.854 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.68 114.6 4.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.069 -0.514 . . . . 0.33 110.593 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.517 ' HB3' HD12 ' A' ' 71' ' ' LEU . 3.5 tppp? -94.26 -42.32 8.99 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.885 -0.413 . . . . 1.08 109.885 178.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 93.8 mtt180 -127.51 152.86 47.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.159 -0.473 . . . . 3.23 109.957 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.2 p -130.26 134.22 62.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.254 0.55 . . . . 1.07 110.732 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.3 t -121.37 105.58 10.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.757 -0.656 . . . . 1.26 109.801 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.4 p -80.12 -32.54 39.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.34 -0.391 . . . . 1.26 110.989 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.404 ' HB2' ' HD2' ' A' ' 67' ' ' LYS . 14.4 m -67.13 -41.73 85.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.999 0.428 . . . . 1.25 110.848 -178.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -94.46 -4.15 48.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 2.3 110.556 -179.487 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 53.0 61.45 3.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.682 -0.69 . . . . 1.67 110.561 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.425 ' HB3' HD23 ' A' ' 83' ' ' LEU . 27.3 p -151.15 160.73 43.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.146 -0.934 . . . . 1.23 109.731 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.4 m -136.03 139.83 43.4 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.659 0.266 . . . . 1.05 110.611 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 61' ' ' LYS . 3.4 tm? -80.63 107.82 13.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.693 -1.225 . . . . 0.83 107.693 173.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.48 HG21 ' SG ' ' A' ' 48' ' ' CYS . 62.4 t -105.01 129.94 56.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.936 -0.575 . . . . 0.21 110.316 -176.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.8 m -106.38 101.49 10.96 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.699 -0.852 . . . . 0.35 108.699 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.607 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 95.4 m-85 -69.47 173.75 5.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.404 -0.816 . . . . 0.3 111.883 -171.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.23 -16.16 63.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.492 0.663 . . . . 2.31 110.3 174.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.95 -3.67 54.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.251 -0.886 . . . . 1.84 110.327 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 74.01 -3.2 2.58 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.276 -0.874 . . . . 1.95 110.871 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 p -73.1 139.5 46.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.954 0.407 . . . . 1.36 110.274 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HE3' HD11 ' A' ' 71' ' ' LEU . 25.4 mtpp -111.47 130.36 55.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.081 -0.509 . . . . 1.63 109.876 -178.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -146.84 145.68 29.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.625 -0.261 . . . . 0.76 110.862 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -87.11 108.1 18.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.195 -0.668 . . . . 0.31 109.195 172.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.434 ' HB ' HD11 ' A' ' 87' ' ' ILE . 19.0 t -104.68 142.93 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.366 -0.605 . . . . 0.44 109.366 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 69' ' ' SER . 65.5 mt -79.53 152.12 30.34 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.046 -0.353 . . . . 1.02 110.046 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 48.4 m0 -60.84 -26.88 67.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 0.48 110.903 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -68.13 -7.34 29.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 2.93 111.977 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.601 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 16.3 m-20 -128.82 9.76 5.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.652 0.263 . . . . 0.48 111.302 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.434 HD11 ' HB ' ' A' ' 82' ' ' VAL . 70.3 mt -111.21 120.9 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.903 0.383 . . . . 0.33 111.116 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -110.73 165.7 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.654 -0.703 . . . . 2.19 109.469 176.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -85.67 143.95 28.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.684 0.278 . . . . 1.33 110.928 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.404 . . . . 0.57 110.505 178.409 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 40' ' ' LEU . 2.4 mm? . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.795 -0.446 . . . . 1.49 109.795 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.0 m -148.5 149.48 31.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.827 -0.434 . . . . 0.49 109.827 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -65.15 144.93 56.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.895 0.379 . . . . 1.1 110.802 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.495 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 88.04 10.86 68.41 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.837 -0.697 . . . . 0.46 112.71 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -111.45 145.91 38.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.763 -0.257 . . . . 1.09 110.677 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -87.56 134.83 33.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.888 0.375 . . . . 0.96 110.28 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.411 HG23 ' SG ' ' A' ' 48' ' ' CYS . 13.0 m -142.24 153.16 18.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.019 -0.537 . . . . 0.21 111.231 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 55' ' ' TYR . 78.8 mt -91.99 110.88 22.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.421 -0.955 . . . . 0.54 108.421 172.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.589 ' SG ' HG21 ' A' ' 72' ' ' VAL . 57.5 m -100.83 118.61 37.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.894 0.378 . . . . 0.87 110.643 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.623 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 69.6 ttt-85 -79.77 129.36 34.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.629 -0.714 . . . . 2.76 110.526 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -96.95 174.76 6.62 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.289 -0.634 . . . . 0.88 109.289 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -58.92 -21.23 57.56 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.07 0.462 . . . . 1.69 111.696 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.15 -10.04 59.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.342 -0.39 . . . . 1.91 110.943 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.35 -1.96 80.27 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.039 -0.6 . . . . 0.62 112.291 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.53 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 93.9 mt -88.93 151.81 22.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.408 -0.219 . . . . 0.63 110.408 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.49 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . 54.9 m-85 -104.85 137.97 41.82 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.052 -0.722 . . . . 0.55 109.052 176.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -125.26 138.9 54.1 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.636 0.255 . . . . 0.55 110.523 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.44 131.28 40.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.044 -0.526 . . . . 0.84 110.562 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.97 170.56 36.12 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.755 -0.657 . . . . 0.2 111.719 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 74.9 tttt -115.85 125.16 52.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.581 0.229 . . . . 0.91 110.693 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.24 114.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.33 110.359 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -96.18 -34.97 11.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.814 -0.63 . . . . 1.08 109.858 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.472 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 97.9 mtt180 -142.01 152.05 43.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.032 -0.531 . . . . 3.23 109.899 176.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 p -126.47 125.53 67.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.849 0.357 . . . . 1.07 110.152 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -113.96 104.42 12.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.041 0.448 . . . . 1.26 110.251 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.613 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 13.1 p -69.55 -40.92 76.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.979 -0.555 . . . . 1.26 111.393 -178.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.0 m -69.44 -21.21 63.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.75 0.31 . . . . 1.25 111.654 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -106.76 -1.45 22.6 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.092 -0.243 . . . . 2.3 111.054 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 53.3 36.75 23.59 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.544 0.528 . . . . 1.67 111.501 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.662 ' HB3' HD23 ' A' ' 83' ' ' LEU . 1.5 p -147.93 161.21 41.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.947 -0.569 . . . . 1.23 110.718 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.7 m -125.91 147.87 49.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.285 -0.416 . . . . 1.05 110.633 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 62' ' ' ARG . 61.3 tp -88.37 108.08 19.16 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.434 -0.95 . . . . 0.83 108.434 174.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.589 HG21 ' SG ' ' A' ' 48' ' ' CYS . 48.4 t -106.6 129.88 59.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.112 -0.494 . . . . 0.21 111.206 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.6 m -93.43 102.21 14.43 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.115 -0.698 . . . . 0.35 109.115 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.616 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 97.4 m-85 -77.54 178.03 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.118 0.485 . . . . 0.3 111.566 -174.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.83 -16.32 64.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.579 -0.737 . . . . 2.31 110.427 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 34.4 t70 -79.48 -4.37 50.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.374 -0.83 . . . . 1.84 109.822 175.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 76' ' ' ASP . 24.1 t-20 77.76 -31.28 0.16 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.129 0.972 . . . . 1.95 111.632 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -61.94 137.11 58.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.794 0.331 . . . . 1.36 110.63 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 47.7 mtmt -99.37 131.78 45.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.12 -0.491 . . . . 1.63 110.275 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.616 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 99.3 m-85 -130.87 145.14 51.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.415 -0.357 . . . . 0.76 110.395 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -84.85 109.14 17.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.199 -0.455 . . . . 0.31 110.074 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 48' ' ' CYS . 22.6 t -108.87 140.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.052 -0.522 . . . . 0.44 109.795 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.662 HD23 ' HB3' ' A' ' 69' ' ' SER . 95.9 mt -70.9 149.53 46.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.558 0.218 . . . . 1.02 110.593 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.613 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 54.2 m0 -58.28 -28.39 64.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.48 111.248 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -68.64 -21.24 64.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.043 -0.526 . . . . 2.93 111.26 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.623 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 30.1 m-20 -105.2 -7.63 18.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.383 -0.371 . . . . 0.48 110.848 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 66.4 mt -95.42 115.9 35.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.29 0.567 . . . . 0.33 110.976 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -112.38 151.0 30.31 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.105 -0.702 . . . . 2.19 109.105 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -66.58 134.85 53.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.653 0.263 . . . . 1.33 110.588 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 109.538 -0.542 . . . . 0.57 109.538 175.195 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.265 0.555 . . . . 1.49 111.191 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.496 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 16.4 m -148.64 147.41 28.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.49 109.662 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.515 ' OE2' ' HA ' ' A' ' 62' ' ' ARG . 29.0 mt-10 -73.3 151.91 41.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.737 0.303 . . . . 1.1 110.757 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.518 ' HA2' ' HE2' ' A' ' 59' ' ' LYS . . . 79.39 13.57 82.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.124 -0.56 . . . . 0.46 111.986 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.496 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 22.9 mt-30 -110.43 156.57 20.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.735 0.302 . . . . 1.09 110.39 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 81.5 m-85 -99.42 129.76 45.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.915 -0.584 . . . . 0.96 109.611 178.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.423 HG23 ' SG ' ' A' ' 48' ' ' CYS . 17.4 m -135.77 153.85 33.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.971 -0.559 . . . . 0.21 111.56 -173.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.9 mt -92.97 110.73 22.2 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.508 -0.923 . . . . 0.54 108.508 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.503 ' SG ' HG21 ' A' ' 72' ' ' VAL . 60.9 m -103.55 121.93 43.9 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.176 -0.466 . . . . 0.87 110.454 -175.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.544 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 25.0 ttt180 -82.05 115.97 21.43 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.943 -0.571 . . . . 2.76 110.303 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -77.76 159.99 28.69 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.021 -0.733 . . . . 0.88 109.021 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 m -68.33 -0.03 4.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.196 0.522 . . . . 1.69 111.502 -175.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -83.88 -15.71 47.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.159 0.504 . . . . 1.91 110.215 175.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.82 2.76 55.16 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.884 -0.674 . . . . 0.62 112.528 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.2 mt -106.12 159.82 15.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.198 -0.297 . . . . 0.63 110.198 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 46.1 m-85 -106.37 144.01 33.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.879 0.371 . . . . 0.55 110.47 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -130.21 155.48 46.19 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.826 -0.625 . . . . 0.55 109.869 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.9 tp -96.24 136.36 36.82 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.119 -0.326 . . . . 0.84 110.119 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.88 169.59 35.2 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.662 -0.78 . . . . 0.2 112.144 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.518 ' HE2' ' HA2' ' A' ' 43' ' ' GLY . 45.3 tttm -116.61 124.9 50.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.648 0.261 . . . . 0.91 110.341 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.16 113.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.33 110.55 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -87.34 -40.11 14.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.92 -0.582 . . . . 1.08 109.944 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.515 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 66.8 ttt180 -146.31 133.99 21.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.874 -0.603 . . . . 3.23 110.674 -177.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.497 HG23 ' SG ' ' A' ' 70' ' ' CYS . 10.8 p -105.41 141.73 20.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.436 -0.347 . . . . 1.07 110.513 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.9 m -137.19 105.28 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.104 0.478 . . . . 1.26 110.623 176.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.457 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 14.0 p -71.72 -37.39 70.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.704 -0.68 . . . . 1.26 112.304 -175.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.1 m -65.71 -23.81 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.881 0.326 . . . . 1.25 111.881 -173.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -108.31 -1.59 19.94 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.103 -0.239 . . . . 2.3 110.661 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 51.06 47.14 25.4 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.985 -0.552 . . . . 1.67 111.03 -176.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -143.63 150.43 38.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.707 -0.679 . . . . 1.23 109.845 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.497 ' SG ' HG23 ' A' ' 63' ' ' VAL . 73.2 m -127.94 140.13 52.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.948 0.404 . . . . 1.05 110.77 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 79' ' ' LYS . 57.4 tp -80.03 108.63 13.77 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.821 -0.807 . . . . 0.83 108.821 174.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.503 HG21 ' SG ' ' A' ' 48' ' ' CYS . 53.9 t -105.4 134.95 45.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.243 -0.435 . . . . 0.21 110.998 -175.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.1 m -96.72 105.71 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.145 -0.687 . . . . 0.35 109.145 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.707 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 98.2 m-85 -78.23 177.83 8.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.034 0.445 . . . . 0.3 111.627 -174.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -57.25 -28.64 63.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.485 -0.779 . . . . 2.31 111.882 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -91.55 23.07 3.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.707 0.289 . . . . 1.84 110.516 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.4 p30 53.84 21.78 2.94 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.755 1.222 . . . . 1.95 112.685 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 m -99.42 139.5 34.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.1 -0.333 . . . . 1.36 110.1 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.759 ' HB3' HD11 ' A' ' 71' ' ' LEU . 98.0 mttt -100.66 131.7 46.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.086 -0.506 . . . . 1.63 110.84 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.707 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 49.3 m-85 -142.21 144.96 33.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.21 -0.45 . . . . 0.76 110.504 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -85.71 109.44 18.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.019 -0.537 . . . . 0.31 110.468 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.541 ' HB ' HD11 ' A' ' 87' ' ' ILE . 21.5 t -107.38 144.18 16.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.031 -0.729 . . . . 0.44 109.031 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.563 HD22 ' HE2' ' A' ' 85' ' ' LYS . 8.0 mp -79.98 153.92 28.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.816 0.341 . . . . 1.02 110.748 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 47.3 m0 -59.26 -27.15 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 0.48 111.843 -176.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.563 ' HE2' HD22 ' A' ' 83' ' ' LEU . 62.7 pttt -63.01 -25.32 68.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 2.93 111.578 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.544 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 59.4 m-20 -106.49 -6.85 17.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.704 0.288 . . . . 0.48 111.193 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.541 HD11 ' HB ' ' A' ' 82' ' ' VAL . 67.9 mt -101.46 122.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.203 0.525 . . . . 0.33 111.499 -176.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.415 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 1.9 mp0 -120.9 165.61 14.96 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.525 -0.917 . . . . 2.19 108.525 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -79.11 149.93 31.92 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.147 -0.316 . . . . 1.33 110.147 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 120.759 0.314 . . . . 0.57 110.622 178.567 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.799 -0.445 . . . . 1.49 109.799 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.8 m -136.49 148.76 47.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.816 0.341 . . . . 0.49 110.409 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.28 125.51 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.247 -0.433 . . . . 1.1 110.811 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.42 0.16 50.18 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.878 -0.677 . . . . 0.46 112.51 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.25 140.75 32.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.891 0.377 . . . . 1.09 111.106 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -88.92 122.76 32.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.967 -0.56 . . . . 0.96 109.532 173.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.432 HG11 HD11 ' A' ' 60' ' ' ILE . 29.4 m -130.75 153.43 39.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.931 -0.577 . . . . 0.21 110.89 -175.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.2 mt -86.55 110.22 19.65 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.176 -1.046 . . . . 0.54 108.176 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.694 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 59.2 m -95.26 117.53 30.43 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.201 0.524 . . . . 0.87 109.788 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.595 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 70.0 ttt-85 -88.24 125.28 34.57 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.353 -0.839 . . . . 2.76 109.81 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -85.16 164.85 17.88 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.982 -0.748 . . . . 0.88 108.982 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 m -63.5 -11.18 21.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.895 0.379 . . . . 1.69 111.58 -176.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.52 -15.91 56.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.092 0.472 . . . . 1.91 110.559 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.23 9.64 47.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.831 -0.7 . . . . 0.62 112.713 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.2 mt -107.24 152.64 23.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.779 -0.248 . . . . 0.63 110.586 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 36.8 m-85 -106.82 142.16 36.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.949 0.404 . . . . 0.55 110.907 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -128.32 140.94 51.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.71 -0.677 . . . . 0.55 109.234 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.6 tp -81.31 130.65 35.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.829 0.347 . . . . 0.84 110.501 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -151.48 170.81 31.05 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.854 -0.688 . . . . 0.2 112.474 -177.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -118.08 123.92 46.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.719 0.295 . . . . 0.91 110.909 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.432 HD11 HG11 ' A' ' 46' ' ' VAL . 67.5 mt -66.38 124.26 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.33 110.694 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -101.28 -53.06 3.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.335 -0.393 . . . . 1.08 110.443 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -126.68 126.93 44.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.09 -0.504 . . . . 3.23 110.191 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.435 HG23 ' SG ' ' A' ' 70' ' ' CYS . 7.1 p -109.91 133.95 53.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.836 0.35 . . . . 1.07 110.392 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.0 p -121.4 103.4 8.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.081 0.467 . . . . 1.26 110.366 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.587 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 20.6 t -68.24 -36.39 79.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 1.26 110.879 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.6 m -71.39 -16.65 62.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.968 0.413 . . . . 1.25 111.29 -177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -113.12 -9.56 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.108 -0.496 . . . . 2.3 111.532 -174.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 56.6 43.46 25.55 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.184 0.516 . . . . 1.67 110.782 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t -148.41 156.99 43.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 1.23 110.159 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.473 ' HG ' ' HE1' ' A' ' 84' ' ' TRP . 77.9 m -135.9 137.69 41.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.314 -0.403 . . . . 1.05 110.814 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.406 ' HB2' ' CE2' ' A' ' 81' ' ' TRP . 60.3 tp -79.95 108.61 13.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.58 -0.896 . . . . 0.83 108.58 172.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.608 HG11 ' SG ' ' A' ' 48' ' ' CYS . 59.1 t -110.28 135.73 48.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.0 -0.546 . . . . 0.21 110.884 -174.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.8 m -101.4 107.3 18.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.37 -0.604 . . . . 0.35 109.37 174.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.694 ' HE1' ' HB2' ' A' ' 48' ' ' CYS . 91.8 m-85 -69.35 168.58 14.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.176 -0.466 . . . . 0.3 110.144 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.29 -14.96 55.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.355 0.598 . . . . 2.31 110.326 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.6 -1.18 29.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.436 -0.802 . . . . 1.84 110.492 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 73.84 1.98 4.08 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.366 0.666 . . . . 1.95 110.901 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 p -89.71 139.4 30.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.256 -0.429 . . . . 1.36 110.635 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 33.1 mtmm -108.38 131.8 54.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 1.63 110.544 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -142.16 150.34 40.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.22 -0.445 . . . . 0.76 110.478 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.406 ' CE2' ' HB2' ' A' ' 71' ' ' LEU . 82.2 m95 -88.1 109.23 19.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.393 -0.367 . . . . 0.31 110.208 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.431 ' HB ' HD11 ' A' ' 87' ' ' ILE . 25.3 t -104.61 144.09 15.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.208 -0.664 . . . . 0.44 109.208 177.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.4 mp -81.0 154.41 26.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.078 -0.341 . . . . 1.02 110.078 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.587 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 50.1 m0 -61.93 -23.64 66.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 0.48 111.094 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -62.06 -21.37 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.756 -0.657 . . . . 2.93 111.644 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 45.7 m-20 -121.55 12.55 10.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.644 0.259 . . . . 0.48 111.073 -178.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.431 HD11 ' HB ' ' A' ' 82' ' ' VAL . 64.1 mt -112.32 120.59 62.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.861 0.363 . . . . 0.33 110.88 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 6.0 tp60 -129.74 138.36 51.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.057 -0.519 . . . . 2.19 109.924 178.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -63.64 142.93 58.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.709 0.29 . . . . 1.33 111.473 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.489 -0.323 . . . . 0.57 110.432 177.806 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 121.057 0.456 . . . . 1.49 110.777 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.446 ' H ' ' NE2' ' A' ' 44' ' ' GLN . 62.7 m -112.98 146.42 39.08 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.614 -0.721 . . . . 0.49 110.036 177.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' A' ' 60' ' ' ILE . 20.0 mt-10 -66.83 152.56 45.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.094 -0.503 . . . . 1.1 111.583 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.505 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 80.31 18.87 70.49 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.879 -0.677 . . . . 0.46 112.978 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' NE2' ' H ' ' A' ' 41' ' ' THR . 33.6 mt-30 -112.31 155.1 24.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.947 -0.39 . . . . 1.09 109.947 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -93.95 132.03 38.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.951 0.405 . . . . 0.96 110.167 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.7 m -136.12 156.0 36.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.909 -0.587 . . . . 0.21 110.911 -177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 88' ' ' GLN . 59.4 mt -99.3 110.96 23.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.765 -0.828 . . . . 0.54 108.765 176.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.674 ' HB3' HG21 ' A' ' 82' ' ' VAL . 57.3 m -96.19 118.19 32.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.095 -0.502 . . . . 0.87 111.028 -173.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.644 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 23.1 ttt180 -84.77 123.87 30.91 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.585 -0.734 . . . . 2.76 110.904 -179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.522 ' HB2' ' HE2' ' A' ' 56' ' ' TYR . 4.9 t-105 -81.42 172.68 13.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.453 -0.794 . . . . 0.88 109.179 176.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 t -64.68 -12.01 41.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.017 0.436 . . . . 1.69 110.956 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -82.91 -10.48 58.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 1.91 111.386 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.57 -1.91 69.67 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.636 -0.792 . . . . 0.62 112.583 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 95.9 mt -89.35 148.7 23.37 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.112 -0.329 . . . . 0.63 110.112 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 51.1 m-85 -105.0 154.83 19.59 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.645 -0.502 . . . . 0.55 109.645 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.522 ' HE2' ' HB2' ' A' ' 50' ' ' TRP . 89.3 m-85 -137.03 138.87 40.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.284 -0.265 . . . . 0.55 110.284 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -75.27 122.43 23.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.029 0.442 . . . . 0.84 110.927 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -150.41 170.93 30.33 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.801 -0.636 . . . . 0.2 112.086 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 80.8 tttt -114.5 130.38 56.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.693 0.283 . . . . 0.91 111.292 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.722 HG23 ' SG ' ' A' ' 70' ' ' CYS . 78.1 mt -60.83 111.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.33 110.424 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -98.62 -32.16 11.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.83 -0.623 . . . . 1.08 110.276 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -158.54 135.75 9.97 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.438 -0.579 . . . . 3.23 109.438 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.59 129.9 69.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.047 0.451 . . . . 1.07 110.808 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.4 t -109.55 108.6 19.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.516 . . . . 1.26 110.275 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.464 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 14.2 p -74.0 -32.39 63.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.342 -0.39 . . . . 1.26 110.657 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.8 m -66.58 -41.92 87.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 1.25 111.397 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -93.46 -5.9 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.093 -0.243 . . . . 2.3 111.641 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 58.52 37.19 25.56 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.226 0.536 . . . . 1.67 109.889 -176.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.517 ' HB2' HD23 ' A' ' 83' ' ' LEU . 32.8 t -136.45 167.52 21.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.616 -0.72 . . . . 1.23 110.058 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.722 ' SG ' HG23 ' A' ' 60' ' ' ILE . 53.5 t -140.73 135.51 31.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.963 0.411 . . . . 1.05 111.021 -178.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.8 tp -81.3 108.99 15.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.934 -0.765 . . . . 0.83 108.934 173.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 62.0 t -109.5 135.41 48.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.943 -0.571 . . . . 0.21 111.03 -174.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 m -101.2 106.16 17.35 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.674 -0.491 . . . . 0.35 109.674 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.462 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 85.3 m-85 -75.93 176.21 8.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.856 0.36 . . . . 0.3 111.331 -176.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.28 -25.57 67.19 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.104 -0.498 . . . . 2.31 110.814 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 77' ' ' ASN . 33.1 t70 -79.82 3.46 19.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.736 -0.666 . . . . 1.84 110.569 177.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 0.9 OUTLIER 72.22 -1.03 3.04 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.47 -0.786 . . . . 1.95 111.306 176.006 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.542 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . 0.8 OUTLIER -79.06 137.13 37.4 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.977 -0.556 . . . . 1.36 110.357 177.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 50.8 mtmt -110.21 130.81 55.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.14 -0.482 . . . . 1.63 110.313 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 78' ' ' SER . 97.5 m-85 -139.16 160.02 40.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.281 -0.418 . . . . 0.76 109.966 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -96.25 112.38 24.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.455 -0.339 . . . . 0.31 110.289 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.674 HG21 ' HB3' ' A' ' 48' ' ' CYS . 21.5 t -110.76 130.87 63.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.37 -0.377 . . . . 0.44 110.047 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 69' ' ' SER . 96.6 mt -62.59 143.23 57.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.429 -0.35 . . . . 1.02 110.475 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.464 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 45.4 m0 -57.45 -24.83 57.98 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.208 0.528 . . . . 0.48 110.527 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -61.76 -29.11 69.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.401 -0.818 . . . . 2.93 111.135 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.644 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 46.1 m-20 -113.51 11.01 18.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.925 0.393 . . . . 0.48 111.032 -175.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 62.1 mt -98.81 120.49 48.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.006 0.431 . . . . 0.33 110.672 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 11.0 tp60 -105.8 163.16 12.93 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.388 -0.968 . . . . 2.19 108.388 176.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -88.24 134.44 33.79 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.692 -0.403 . . . . 1.33 109.957 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.57 110.324 179.869 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 84' ' ' TRP . 90.3 mt . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.969 0.414 . . . . 1.49 111.526 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.6 m -129.64 147.46 51.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.845 -0.616 . . . . 0.49 109.811 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -70.66 140.23 51.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.903 0.382 . . . . 1.1 110.696 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.448 ' HA2' ' HE2' ' A' ' 59' ' ' LYS . . . 99.28 -6.52 59.59 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.893 -0.67 . . . . 0.46 111.965 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -91.98 146.45 23.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.708 0.29 . . . . 1.09 110.728 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -89.06 126.07 35.28 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.62 -0.511 . . . . 0.96 109.62 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' HB ' HG23 ' A' ' 87' ' ' ILE . 23.4 m -134.04 153.84 36.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.328 0.585 . . . . 0.21 111.684 -175.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.9 mt -88.77 111.45 22.01 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.153 -0.93 . . . . 0.54 108.964 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.493 ' SG ' HG11 ' A' ' 72' ' ' VAL . 35.6 m -98.64 119.86 38.1 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.794 -0.639 . . . . 0.87 110.247 -176.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.507 ' NH1' ' HA ' ' A' ' 86' ' ' ASP . 35.3 ttm180 -86.51 113.76 22.7 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.683 -0.69 . . . . 2.76 110.479 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -83.21 173.14 11.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.042 -0.526 . . . . 0.88 109.606 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.3 m -63.27 -14.27 47.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 1.69 111.756 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -76.11 -9.15 58.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.816 0.341 . . . . 1.91 110.847 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.51 11.37 82.05 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.904 -0.665 . . . . 0.62 111.645 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.7 mt -103.7 156.94 17.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.09 -0.337 . . . . 0.63 110.09 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -105.77 135.63 46.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.034 0.445 . . . . 0.55 110.761 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -127.04 136.24 51.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.802 -0.636 . . . . 0.55 109.826 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -80.7 128.23 33.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.926 0.393 . . . . 0.84 110.485 -178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -149.18 165.6 29.4 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.901 -0.666 . . . . 0.2 111.859 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' HE2' ' HA2' ' A' ' 43' ' ' GLY . 52.3 tttm -107.56 124.73 50.36 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.564 0.221 . . . . 0.91 110.709 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.07 111.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.43 -0.35 . . . . 0.33 110.291 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -90.56 -34.43 15.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.033 0.444 . . . . 1.08 110.147 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.437 ' HB3' ' HB3' ' A' ' 71' ' ' LEU . 74.6 ttt180 -146.79 134.86 21.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.782 -0.645 . . . . 3.23 109.986 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.562 HG23 ' SG ' ' A' ' 70' ' ' CYS . 9.1 p -107.98 135.16 47.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.584 -0.525 . . . . 1.07 109.584 174.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.446 ' OG ' ' HD3' ' A' ' 67' ' ' LYS . 35.8 t -123.66 108.49 12.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.968 0.413 . . . . 1.26 110.631 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 56.5 p -73.59 -20.58 60.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.07 -0.514 . . . . 1.26 110.321 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.9 m -73.2 -37.91 66.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.156 -0.475 . . . . 1.25 110.999 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HD3' ' OG ' ' A' ' 64' ' ' SER . 4.3 mptp? -98.93 -6.09 29.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 2.3 111.48 -177.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 58.11 32.46 22.03 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.055 0.455 . . . . 1.67 110.749 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.668 ' HB3' HD23 ' A' ' 83' ' ' LEU . 19.1 p -141.72 167.03 23.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.81 -0.632 . . . . 1.23 110.469 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.562 ' SG ' HG23 ' A' ' 63' ' ' VAL . 75.7 m -130.01 139.92 50.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.086 -0.507 . . . . 1.05 110.396 177.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.457 HD21 ' HE2' ' A' ' 79' ' ' LYS . 57.9 tp -82.3 108.2 15.56 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.663 -0.866 . . . . 0.83 108.663 175.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.493 HG11 ' SG ' ' A' ' 48' ' ' CYS . 58.7 t -103.37 137.13 32.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 116.189 -0.459 . . . . 0.21 111.259 -173.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.8 m -101.31 110.27 22.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.548 -0.538 . . . . 0.35 109.548 174.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.456 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 98.7 m-85 -81.95 -177.31 6.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.366 -0.379 . . . . 0.3 111.142 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.3 -31.04 70.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.3 0.572 . . . . 2.31 110.681 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -77.36 0.73 21.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.426 -0.806 . . . . 1.84 110.57 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.3 t30 71.83 5.51 5.38 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.64 -0.709 . . . . 1.95 110.437 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.46 137.9 36.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.699 -0.682 . . . . 1.36 110.501 178.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 45.6 mtpt -103.08 131.86 49.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.575 -0.739 . . . . 1.63 110.01 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.456 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 73.6 m-85 -142.39 145.27 33.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.689 -0.232 . . . . 0.76 110.601 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -84.41 109.46 17.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.211 -0.449 . . . . 0.31 110.491 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' A' ' 87' ' ' ILE . 21.0 t -107.91 137.07 41.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.389 -0.597 . . . . 0.44 109.389 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 69' ' ' SER . 95.5 mt -68.92 150.43 47.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.524 0.202 . . . . 1.02 110.733 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.572 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 51.5 m0 -56.18 -35.68 67.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 0.48 110.696 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -65.16 -16.39 63.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.841 -0.618 . . . . 2.93 111.859 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.507 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 36.4 m-20 -110.79 5.47 20.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.859 0.361 . . . . 0.48 110.819 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.427 HG23 ' HB ' ' A' ' 46' ' ' VAL . 66.5 mt -111.68 116.77 53.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.217 -0.447 . . . . 0.33 110.682 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -121.97 132.17 54.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.896 -0.593 . . . . 2.19 109.962 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -58.47 135.52 57.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.989 0.366 . . . . 1.33 111.989 -174.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.57 110.129 177.161 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 121.133 0.492 . . . . 1.49 111.144 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.55 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 40.4 m -134.83 144.33 47.53 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.526 -0.761 . . . . 0.49 109.424 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.541 ' HG2' HG23 ' A' ' 63' ' ' VAL . 30.6 mt-10 -70.24 134.52 48.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.944 0.402 . . . . 1.1 110.557 -177.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.8 -3.66 60.9 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.95 -0.643 . . . . 0.46 112.262 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.55 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 15.5 mt-30 -95.19 151.23 19.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.622 0.249 . . . . 1.09 110.398 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -90.44 137.32 32.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.896 -0.409 . . . . 0.96 109.896 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 60' ' ' ILE . 16.1 m -139.85 163.16 25.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.264 0.554 . . . . 0.21 111.377 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.7 mt -102.39 111.09 23.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.446 -0.946 . . . . 0.54 108.446 176.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.456 ' SG ' HG11 ' A' ' 72' ' ' VAL . 59.1 m -98.89 123.21 43.01 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.874 0.369 . . . . 0.87 110.803 -175.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 60.2 ttt180 -89.32 110.85 21.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.964 -0.562 . . . . 2.76 110.074 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -82.37 178.26 8.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.069 -0.514 . . . . 0.88 110.079 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 t -63.22 -15.62 57.59 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.012 0.434 . . . . 1.69 111.675 -175.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -76.46 -8.13 56.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.053 0.454 . . . . 1.91 110.664 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.2 -2.3 86.72 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.954 -0.566 . . . . 0.62 112.134 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.53 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 89.4 mt -95.31 160.94 14.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.717 0.294 . . . . 0.63 110.816 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.454 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 43.8 m-85 -105.39 139.07 40.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.101 -0.5 . . . . 0.55 110.708 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -127.35 145.54 50.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.515 -0.766 . . . . 0.55 109.55 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -82.85 132.94 35.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.872 0.367 . . . . 0.84 110.923 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.81 168.64 33.92 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.956 -0.64 . . . . 0.2 112.02 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -112.09 128.04 56.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.45 0.167 . . . . 0.91 110.802 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.47 HD11 HG11 ' A' ' 46' ' ' VAL . 64.4 mt -64.77 120.75 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.33 110.249 178.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 14.1 tppt? -97.98 -43.81 6.92 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.139 -0.482 . . . . 1.08 110.367 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.491 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 65.6 ttt180 -145.93 133.67 21.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.235 -0.438 . . . . 3.23 110.737 -178.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.541 HG23 ' HG2' ' A' ' 42' ' ' GLU . 75.4 t -100.72 124.38 54.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.636 -0.257 . . . . 1.07 110.898 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.1 t -106.23 102.6 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.489 -0.56 . . . . 1.26 109.489 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 17.2 m -73.24 -28.79 62.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.788 -0.642 . . . . 1.26 110.975 -176.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 p -73.38 -41.21 63.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.987 -0.552 . . . . 1.25 111.642 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -91.9 -6.21 51.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.65 -0.25 . . . . 2.3 111.564 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 61.0 35.65 18.9 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.986 0.422 . . . . 1.67 110.854 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.7 p -136.21 160.05 39.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.975 -0.557 . . . . 1.23 110.833 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.404 ' SG ' HG22 ' A' ' 63' ' ' VAL . 93.9 m -128.67 138.1 51.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.078 -0.51 . . . . 1.05 110.366 176.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' ' 79' ' ' LYS . 61.9 tp -79.62 108.78 13.43 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.416 -0.957 . . . . 0.83 108.416 173.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.456 HG11 ' SG ' ' A' ' 48' ' ' CYS . 58.2 t -108.53 137.74 38.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 116.161 -0.472 . . . . 0.21 110.551 -174.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.3 m -103.01 108.7 19.97 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.657 -0.497 . . . . 0.35 109.657 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.418 ' CE2' ' HD2' ' A' ' 80' ' ' TYR . 98.5 m-85 -74.99 176.29 7.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.274 -0.421 . . . . 0.3 111.178 -177.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.2 -22.13 66.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 2.31 111.788 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -86.89 6.13 33.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.96 0.41 . . . . 1.84 110.29 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 69.11 19.69 7.91 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.142 0.972 . . . . 1.95 109.492 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -80.51 133.03 35.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.15 -0.932 . . . . 1.36 109.75 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.467 ' HB3' HD11 ' A' ' 71' ' ' LEU . 53.3 mtpt -108.77 130.32 55.38 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.11 -0.33 . . . . 1.63 110.11 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.418 ' HD2' ' CE2' ' A' ' 74' ' ' PHE . 80.0 m-85 -147.1 156.59 43.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.76 110.628 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -97.85 108.72 21.49 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.686 -0.487 . . . . 0.31 109.686 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.412 ' HB ' HD11 ' A' ' 87' ' ' ILE . 15.3 t -105.42 136.43 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.396 -0.366 . . . . 0.44 110.106 -178.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.58 143.26 57.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.303 -0.408 . . . . 1.02 110.696 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 50.4 m0 -55.92 -34.58 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.48 111.589 -177.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -61.7 -28.4 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 2.93 111.573 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -101.22 3.46 40.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.39 -0.368 . . . . 0.48 111.124 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.412 HD11 ' HB ' ' A' ' 82' ' ' VAL . 71.8 mt -102.38 119.73 51.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.262 0.553 . . . . 0.33 110.829 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -110.36 165.72 11.55 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.3 -1.0 . . . . 2.19 108.3 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -80.03 147.82 31.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.302 0.501 . . . . 1.33 110.407 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.388 0 C-N-CA 120.948 -0.301 . . . . 0.57 110.757 179.306 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.8 t . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 121.001 0.429 . . . . 2.19 110.119 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -95.59 124.25 39.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.056 -0.52 . . . . 3.92 109.983 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.77 131.11 45.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.109 -0.496 . . . . 1.49 111.011 -175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.6 m -132.55 154.4 50.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.218 -0.901 . . . . 0.49 109.467 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -70.64 139.98 51.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.919 0.39 . . . . 1.1 111.038 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.5 -7.95 77.35 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.013 -0.613 . . . . 0.46 112.71 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -76.59 136.24 39.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.82 0.343 . . . . 1.09 110.855 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 96.8 m-85 -85.27 125.28 32.77 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.342 -0.984 . . . . 0.96 108.342 170.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 m -133.76 161.18 41.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.31 0.576 . . . . 0.21 111.581 -173.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 55' ' ' TYR . 84.0 mt -104.28 110.56 22.83 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.127 -0.942 . . . . 0.54 108.718 174.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.508 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 62.7 m -92.64 122.95 35.56 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.933 -0.576 . . . . 0.87 109.827 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.483 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . 32.1 ttt180 -85.16 110.02 18.7 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.733 -0.667 . . . . 2.76 110.329 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -80.74 178.42 8.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.517 -0.765 . . . . 0.88 110.274 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -70.9 -0.75 9.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.21 0.529 . . . . 1.69 111.741 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -85.46 -12.46 51.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.541 . . . . 1.91 110.355 174.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.65 -2.23 85.97 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.401 -0.68 . . . . 0.62 111.401 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.402 HD13 ' HB2' ' B' ' 38' ' ' PRO . 70.5 mt -96.5 160.33 14.46 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.345 -0.428 . . . . 0.63 110.295 -178.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.551 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . 84.4 m-85 -105.35 139.69 39.6 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.107 -0.497 . . . . 0.55 110.434 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.545 ' CD1' ' HE3' ' B' ' 36' ' ' M3L . 91.8 m-85 -121.02 142.78 49.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.53 -0.759 . . . . 0.55 110.055 178.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.3 tp -84.67 133.65 34.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.784 0.326 . . . . 0.84 110.83 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.25 169.14 36.04 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.023 -0.608 . . . . 0.2 112.172 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.5 ' HD2' ' CZ ' ' A' ' 45' ' ' TYR . 42.7 tttm -114.47 126.84 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.645 0.26 . . . . 0.91 110.792 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.1 mt -68.76 116.51 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.33 110.263 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -95.01 -42.05 8.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.045 0.45 . . . . 1.08 110.318 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -137.24 137.0 38.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.817 -0.629 . . . . 3.23 110.12 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.454 HG23 ' SG ' ' A' ' 70' ' ' CYS . 9.2 p -117.92 138.86 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 110.091 -0.337 . . . . 1.07 110.091 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -134.9 114.67 12.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.09 0.472 . . . . 1.26 110.959 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.596 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 6.1 p -69.22 -44.45 72.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.613 -0.721 . . . . 1.26 112.316 -175.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.4 m -65.2 -39.1 92.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.8 0.333 . . . . 1.25 111.202 -177.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -76.41 -22.12 55.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.361 -0.381 . . . . 2.3 111.218 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 63.27 29.77 15.81 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.382 0.61 . . . . 1.67 110.396 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.3 m -139.62 157.51 45.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.716 -0.674 . . . . 1.23 110.114 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' A' ' 63' ' ' VAL . 73.2 m -121.44 141.02 51.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.242 -0.435 . . . . 1.05 110.245 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 ' HB3' ' A' ' 79' ' ' LYS . 53.5 tp -82.36 108.15 15.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.746 -0.835 . . . . 0.83 108.746 174.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 54.5 t -110.87 137.75 41.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.826 -0.625 . . . . 0.21 110.643 -174.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 78' ' ' SER . 76.5 m -102.43 109.43 21.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.824 -0.436 . . . . 0.35 109.824 174.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.514 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 99.4 m-85 -74.73 179.71 4.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.5 . . . . 0.3 111.249 -176.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.43 -30.4 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.843 -0.617 . . . . 2.31 111.499 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -90.1 17.44 6.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.024 0.44 . . . . 1.84 110.538 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 69.24 13.74 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.448 -0.796 . . . . 1.95 111.931 172.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 73' ' ' THR . 62.4 p -83.24 140.66 32.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.282 -0.266 . . . . 1.36 110.282 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.646 ' HB3' HD11 ' A' ' 71' ' ' LEU . 38.6 mtmm -107.31 130.47 54.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.995 0.426 . . . . 1.63 110.475 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.514 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 64.5 m-85 -141.42 154.23 45.48 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.878 -0.601 . . . . 0.76 110.476 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -95.69 108.33 20.62 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.492 -0.559 . . . . 0.31 109.492 173.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.3 t -105.46 136.77 38.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.897 -0.592 . . . . 0.44 109.888 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.422 ' O ' HG13 ' A' ' 87' ' ' ILE . 52.1 mt -61.86 144.18 55.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.452 -0.34 . . . . 1.02 110.77 177.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.596 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 53.5 m0 -57.33 -31.26 65.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.48 111.081 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' ' 83' ' ' LEU . 21.4 ptmt -69.62 -16.04 63.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.02 -0.536 . . . . 2.93 111.352 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -107.46 0.53 22.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.89 0.376 . . . . 0.48 111.011 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 83' ' ' LEU . 70.2 mt -105.34 118.43 52.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.196 0.522 . . . . 0.33 110.911 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -112.14 148.53 33.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.673 -0.694 . . . . 2.19 109.512 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -73.15 146.42 45.67 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.112 -0.329 . . . . 1.33 110.112 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.38 136.17 39.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.802 0.334 . . . . 0.57 110.262 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.33 14.72 53.31 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.919 -0.658 . . . . 1.51 112.602 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.7 m -121.07 148.95 50.25 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.706 0.289 . . . . 2.16 110.558 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.56 42.07 1.09 Allowed 'Trans proline' 0 CA--C 1.529 0.231 0 C-N-CA 123.143 2.562 . . . . 2.82 113.388 -177.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 90.83 99.02 1.2 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.543 -0.837 . . . . 3.95 112.176 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.87 -0.586 . . . . 5.9 109.792 177.802 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.41 -0.219 . . . . 9.65 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -79.46 -30.34 42.12 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.13 0.49 . . . . 8.7 109.982 176.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.38 79.56 0.3 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.789 -0.924 . . . . 6.09 110.789 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.34 111.84 3.1 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 111.021 -0.832 . . . . 3.6 111.021 -172.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.26 126.59 31.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.954 0.407 . . . . 2.89 110.409 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' M3L . . . . . 0.545 ' HE3' ' CD1' ' A' ' 56' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 115.774 -0.648 . . . . 1.79 109.451 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -105.03 127.75 28.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 121.287 0.565 . . . . 3.05 111.762 -173.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.461 ' HB3' ' CE1' ' A' ' 56' ' ' TYR . 96.1 Cg_endo -90.9 150.77 3.96 Favored 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 122.996 2.464 . . . . 1.23 111.695 173.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -158.71 171.45 20.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.749 0.309 . . . . 2.4 111.215 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -92.33 62.81 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.217 -0.447 . . . . 4.75 110.542 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 57.5 t80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.39 -0.814 . . . . 3.33 111.028 178.216 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 120.728 0.299 . . . . 2.19 110.427 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HE3' ' HB3' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -93.81 100.15 12.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.32 -0.622 . . . . 3.92 109.32 178.223 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.574 HD12 HD11 ' A' ' 60' ' ' ILE . 3.0 mm? -85.63 132.22 34.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.141 0.495 . . . . 1.49 111.157 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.477 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 54.3 m -139.83 142.06 36.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.659 -0.7 . . . . 0.49 109.441 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.563 ' HA ' HG22 ' A' ' 60' ' ' ILE . 72.5 mt-10 -71.93 142.71 49.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.979 0.419 . . . . 1.1 111.256 -177.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.506 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 89.38 17.44 55.26 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.587 -0.733 . . . . 0.46 112.378 -177.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.477 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 12.4 mt-30 -118.63 155.97 30.04 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.305 -0.257 . . . . 1.09 110.305 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -96.83 131.3 43.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.264 0.554 . . . . 0.96 110.746 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.554 ' HB ' ' O ' ' A' ' 88' ' ' GLN . 24.5 m -134.4 155.34 38.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.499 -0.773 . . . . 0.21 110.889 -176.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.3 mt -98.38 110.69 23.24 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.572 -0.899 . . . . 0.54 108.572 170.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.693 ' HB3' ' HE1' ' A' ' 74' ' ' PHE . 53.7 t -96.21 121.38 37.92 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.737 -0.665 . . . . 0.87 110.097 -175.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -84.18 137.37 33.55 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.827 -0.624 . . . . 2.76 109.936 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.622 ' HB2' ' HE2' ' A' ' 56' ' ' TYR . 7.9 t-105 -100.22 168.52 9.75 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.836 -0.62 . . . . 0.88 109.507 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 p -66.93 -9.46 38.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 1.69 111.423 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.4 3.76 51.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 1.91 111.205 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.92 25.22 64.98 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.938 -0.648 . . . . 0.62 112.925 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -122.0 156.21 33.95 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.847 -0.427 . . . . 0.63 109.847 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.704 ' HB2' ' HB2' ' B' ' 39' ' ' HIS . 63.0 m-85 -106.72 148.66 28.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.783 0.325 . . . . 0.55 110.759 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.622 ' HE2' ' HB2' ' A' ' 50' ' ' TRP . 66.0 m-85 -137.43 131.78 32.45 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.989 -0.551 . . . . 0.55 110.193 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 tp -78.15 136.0 37.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.93 0.395 . . . . 0.84 110.843 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.2 164.75 34.54 Favored Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 120.955 -0.641 . . . . 0.2 112.098 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.506 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 77.4 tttt -103.61 126.45 50.76 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 110.411 -0.218 . . . . 0.91 110.411 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.685 HG23 ' SG ' ' A' ' 70' ' ' CYS . 73.8 mt -60.19 111.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.922 0.391 . . . . 0.33 110.115 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -88.83 -45.66 9.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.816 -0.629 . . . . 1.08 110.015 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.415 ' HA ' ' CD ' ' A' ' 42' ' ' GLU . 67.5 ttt180 -149.75 126.77 11.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.535 -0.757 . . . . 3.23 110.016 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.518 HG12 ' HG3' ' A' ' 42' ' ' GLU . 11.0 p -110.67 133.01 57.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.128 0.49 . . . . 1.07 110.534 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.8 p -112.05 105.15 13.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.093 -0.503 . . . . 1.26 110.545 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.668 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 11.0 p -71.8 -31.3 66.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.912 -0.585 . . . . 1.26 111.433 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.5 m -69.55 -33.52 72.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.231 0.539 . . . . 1.25 110.62 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -97.37 -4.77 37.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.719 -0.673 . . . . 2.3 111.195 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 54.9 31.35 15.66 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.029 -0.532 . . . . 1.67 111.49 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.538 ' HB3' HD23 ' A' ' 83' ' ' LEU . 1.4 p -138.07 163.34 31.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.958 -0.565 . . . . 1.23 110.214 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.685 ' SG ' HG23 ' A' ' 60' ' ' ILE . 44.1 t -133.73 141.83 47.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.106 0.479 . . . . 1.05 111.436 -176.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.7 tp -88.5 108.85 19.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.351 -0.841 . . . . 0.83 109.168 172.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 37.1 t -104.32 132.22 51.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.061 -0.518 . . . . 0.21 110.699 -175.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.2 m -96.79 96.12 8.35 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.334 -0.617 . . . . 0.35 109.334 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.693 ' HE1' ' HB3' ' A' ' 48' ' ' CYS . 92.8 m-85 -71.61 171.75 10.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.118 -0.492 . . . . 0.3 111.258 -173.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.32 -20.07 62.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.399 0.618 . . . . 2.31 109.929 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.969 ' HB2' ' HB3' ' B' ' 36' ' ' M3L . 36.7 t70 -77.9 -1.53 32.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.29 -0.868 . . . . 1.84 110.602 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.8 t30 76.08 -31.62 0.2 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.77 0.828 . . . . 1.95 110.937 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 76' ' ' ASP . 19.6 m -59.12 133.86 56.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.069 -0.514 . . . . 1.36 110.577 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 47.5 mtpt -110.08 131.16 55.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.827 -0.624 . . . . 1.63 109.924 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -136.15 156.98 47.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.716 0.293 . . . . 0.76 110.786 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -97.61 121.69 39.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.871 -0.604 . . . . 0.31 109.917 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.551 HG21 ' SG ' ' A' ' 48' ' ' CYS . 21.4 t -129.15 144.4 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.472 -0.331 . . . . 0.44 110.35 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 69' ' ' SER . 96.3 mt -64.22 150.89 44.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.864 0.364 . . . . 1.02 110.799 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.668 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 53.8 m0 -64.61 -21.05 66.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.48 111.606 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -64.89 -13.91 58.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.41 -0.359 . . . . 2.93 111.724 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -117.74 -9.24 10.75 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.762 0.282 . . . . 0.48 111.762 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.536 HD11 ' HB ' ' A' ' 82' ' ' VAL . 77.1 mt -98.07 117.63 43.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.049 0.452 . . . . 0.33 111.158 -175.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.554 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 63.0 mt-30 -117.96 165.28 13.89 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.852 -0.613 . . . . 2.19 109.786 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -90.58 142.6 27.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.726 0.298 . . . . 1.33 111.494 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.08 147.01 24.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.389 . . . . 0.57 110.232 176.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.88 5.38 62.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.737 . . . . 1.51 112.419 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.0 m -117.25 147.08 39.7 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 109.75 -0.463 . . . . 2.16 109.75 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.42 -51.25 10.41 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.757 2.305 . . . . 2.82 112.503 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.84 76.29 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.929 -0.653 . . . . 3.95 111.791 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.671 -0.68 . . . . 5.9 110.273 -177.37 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.501 ' HB3' HM11 ' B' ' 36' ' ' M3L . . . . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.148 -0.315 . . . . 9.65 110.148 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 12.0 t -86.98 137.32 32.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.183 0.516 . . . . 8.7 110.973 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.63 141.06 9.71 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.794 -0.717 . . . . 6.09 111.949 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -109.29 -46.97 0.89 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.744 -0.741 . . . . 3.6 111.902 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.764 HG23 ' HA ' ' A' ' 76' ' ' ASP . 9.8 m -134.66 31.68 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.354 0.597 . . . . 2.89 110.549 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' M3L . . . . . 0.969 ' HB3' ' HB2' ' A' ' 76' ' ' ASP . . . . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 115.888 -0.597 . . . . 1.79 110.848 -176.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 48.4 mmtm -93.37 114.51 63.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.03 -0.359 . . . . 3.05 110.03 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 7.9 Cg_exo -73.2 139.73 29.83 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.096 2.53 . . . . 1.23 112.615 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.704 ' HB2' ' HB2' ' A' ' 55' ' ' TYR . 69.2 m80 -91.89 142.13 27.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.834 -0.621 . . . . 2.4 109.553 176.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -108.76 112.65 25.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.401 -0.363 . . . . 4.75 110.696 -176.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.556 -0.735 . . . . 3.33 109.719 175.907 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.623 ' HB3' ' HE1' ' A' ' 89' ' ' HIS . 18.5 m . . . . . 0 N--CA 1.475 0.821 0 CA-C-O 120.493 0.187 . . . . 2.19 110.532 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? 67.13 103.04 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.531 0.681 . . . . 3.92 111.321 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.61 132.56 40.63 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.69 -0.686 . . . . 1.49 110.551 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.401 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 7.9 m -131.84 147.02 52.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.678 -0.692 . . . . 0.49 109.769 -177.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.473 ' OE2' ' HA ' ' A' ' 62' ' ' ARG . 27.6 mt-10 -73.59 152.64 40.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.812 0.339 . . . . 1.1 110.75 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.486 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 88.43 -8.84 77.73 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.46 112.194 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 19.9 mt-30 -86.76 144.08 27.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.845 0.355 . . . . 1.09 110.769 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -90.8 122.93 33.95 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.557 -0.905 . . . . 0.96 108.557 174.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 m -128.68 152.77 37.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.248 0.547 . . . . 0.21 111.556 -175.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.541 ' HG ' ' HB2' ' A' ' 90' ' ' ALA . 56.8 mt -87.51 111.11 20.85 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.212 -0.904 . . . . 0.54 108.893 175.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.518 ' SG ' HG11 ' A' ' 72' ' ' VAL . 57.0 m -100.76 118.1 36.18 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.262 -0.426 . . . . 0.87 110.231 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.616 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 70.4 ttt180 -73.92 105.25 5.1 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.512 0.672 . . . . 2.76 109.778 177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -87.43 -179.01 6.29 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.138 -0.937 . . . . 0.88 110.623 -172.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.9 m -64.36 -16.33 62.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.982 -0.553 . . . . 1.69 112.291 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -76.1 -10.16 59.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 1.91 110.454 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.99 0.49 85.52 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.775 -0.726 . . . . 0.62 111.494 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.99 170.91 7.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.522 -0.339 . . . . 0.63 110.169 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -105.14 136.31 44.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.961 0.41 . . . . 0.55 110.137 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -128.19 133.22 48.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.781 -0.645 . . . . 0.55 110.444 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.8 tp -73.91 128.84 36.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.081 0.467 . . . . 0.84 111.027 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -147.26 164.55 28.67 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.448 -0.661 . . . . 0.2 111.448 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.486 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 82.7 tttt -105.25 125.68 51.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.951 0.375 . . . . 0.91 111.476 -178.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.459 HG23 ' HB3' ' A' ' 70' ' ' CYS . 65.8 mt -70.96 116.24 12.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.33 110.27 177.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -100.25 -25.66 14.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.575 0.226 . . . . 1.08 110.711 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.473 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 64.9 ttt180 -149.37 149.21 30.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.322 -0.399 . . . . 3.23 110.008 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.3 t -120.67 126.89 75.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.683 0.278 . . . . 1.07 110.657 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.5 t -108.23 101.84 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.242 -0.651 . . . . 1.26 109.242 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.412 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 15.5 m -74.65 -30.44 61.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.979 -0.555 . . . . 1.26 111.65 -174.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.2 p -72.09 -31.06 65.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.188 0.518 . . . . 1.25 111.073 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -96.48 -6.86 36.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.955 -0.566 . . . . 2.3 110.942 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 55.65 42.96 28.9 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.399 0.618 . . . . 1.67 110.237 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.532 ' HB2' HD23 ' A' ' 83' ' ' LEU . 23.2 t -144.14 146.74 32.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.547 -0.751 . . . . 1.23 109.94 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.459 ' HB3' HG23 ' A' ' 60' ' ' ILE . 70.8 m -116.46 145.47 43.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.895 0.379 . . . . 1.05 110.947 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' A' ' 79' ' ' LYS . 45.1 tp -79.73 107.98 12.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.286 -1.005 . . . . 0.83 108.286 171.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.518 HG11 ' SG ' ' A' ' 48' ' ' CYS . 61.5 t -112.91 131.15 65.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.993 -0.549 . . . . 0.21 110.793 -174.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.419 ' OG1' ' HG2' ' A' ' 79' ' ' LYS . 20.2 m -101.29 106.05 17.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.526 -0.546 . . . . 0.35 109.526 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.452 ' HE1' ' HB2' ' A' ' 48' ' ' CYS . 94.3 m-85 -71.59 176.12 5.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.56 . . . . 0.3 110.333 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -59.11 -20.2 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.232 0.539 . . . . 2.31 110.905 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.524 ' HA ' HG21 ' B' ' 35' ' ' VAL . 21.5 t70 -77.38 -1.12 28.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.536 -0.756 . . . . 1.84 110.497 -179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.3 m120 69.13 7.25 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.451 -0.795 . . . . 1.95 111.056 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.9 m -97.0 135.27 39.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.507 -0.769 . . . . 1.36 109.677 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HB3' HD11 ' A' ' 71' ' ' LEU . 53.3 mttp -96.67 131.7 43.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.474 -0.33 . . . . 1.63 110.899 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.429 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 84.2 m-85 -139.85 159.16 42.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.96 -0.564 . . . . 0.76 109.806 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -97.29 112.37 24.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.112 0.482 . . . . 0.31 110.472 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' A' ' 48' ' ' CYS . 18.8 t -105.32 139.09 27.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.63 . . . . 0.44 109.413 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' A' ' 69' ' ' SER . 94.7 mt -72.74 147.35 45.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.706 -0.224 . . . . 1.02 110.425 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.412 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 46.7 m0 -57.16 -26.07 59.98 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.183 0.516 . . . . 0.48 110.403 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -67.47 -21.65 65.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.276 -0.875 . . . . 2.93 111.059 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 45.5 m-20 -112.32 1.92 16.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.48 110.75 -178.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.3 mt -101.63 126.88 55.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.14 -0.482 . . . . 0.33 110.674 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -124.09 122.43 37.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.071 -0.513 . . . . 2.19 109.798 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.623 ' HE1' ' HB3' ' A' ' 38' ' ' SER . 74.0 m80 -56.86 129.12 40.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.52 -0.309 . . . . 1.33 110.748 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.541 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . . . -105.81 137.47 43.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.232 -0.44 . . . . 0.57 110.476 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.09 24.54 51.89 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.587 -0.816 . . . . 1.51 111.761 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.552 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 27.5 m -113.21 162.21 23.15 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 110.167 -0.309 . . . . 2.16 110.167 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 10.7 Cg_endo -54.54 109.9 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.771 2.314 . . . . 2.82 112.127 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.83 -36.14 4.41 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.059 -0.591 . . . . 3.95 112.109 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.243 -0.884 . . . . 5.9 110.002 -178.438 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.34 -0.244 . . . . 9.65 110.34 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . 0.422 ' O ' HG22 ' B' ' 35' ' ' VAL . 2.1 p -106.62 87.1 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.41 0.624 . . . . 8.7 110.873 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.96 -123.64 8.09 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.674 -0.774 . . . . 6.09 112.194 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -93.78 -8.67 60.49 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.691 -0.766 . . . . 3.6 112.597 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.524 HG21 ' HA ' ' A' ' 76' ' ' ASP . 24.7 m -100.26 153.62 4.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.665 0.269 . . . . 2.89 111.163 -177.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.205 0 CA-C-N 115.619 -0.719 . . . . 1.79 110.612 -177.846 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -93.5 149.63 37.55 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.439 -0.801 . . . . 3.05 110.078 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.6 100.47 0.8 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.202 1.934 . . . . 1.23 111.984 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -88.22 112.7 23.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.954 -0.567 . . . . 2.4 109.524 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -79.46 161.22 26.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.167 0.508 . . . . 4.75 110.644 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.515 -0.755 . . . . 3.33 110.192 -176.501 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.485 ' HB3' ' HD2' ' A' ' 89' ' ' HIS . 16.0 m . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 110.224 -0.288 . . . . 2.19 110.224 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -78.61 112.27 15.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.656 0.265 . . . . 3.92 110.289 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.8 mt -98.81 130.48 45.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.037 0.446 . . . . 1.49 110.45 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -141.48 156.61 45.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.734 -0.666 . . . . 0.49 109.746 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -66.85 119.72 12.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.789 0.328 . . . . 1.1 110.86 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.59 4.01 34.71 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.896 -0.669 . . . . 0.46 112.78 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -97.34 148.32 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.774 0.287 . . . . 1.09 110.81 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -93.05 131.12 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.024 -0.535 . . . . 0.96 109.574 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.7 m -136.61 158.81 37.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.151 0.5 . . . . 0.21 111.491 -175.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.3 mt -97.59 111.23 23.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.402 -0.817 . . . . 0.54 109.058 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.534 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 58.8 m -98.84 124.58 43.84 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.049 -0.523 . . . . 0.87 110.43 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.601 ' NH1' ' HA ' ' A' ' 86' ' ' ASP . 33.3 ttm180 -85.74 118.68 25.39 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.622 -0.717 . . . . 2.76 110.113 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -93.52 175.71 6.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.887 -0.597 . . . . 0.88 109.933 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.7 m -56.51 -22.78 35.18 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.879 0.472 . . . . 1.69 112.241 -175.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.13 -6.21 50.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.219 -0.446 . . . . 1.91 111.654 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.44 12.58 80.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.62 111.539 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.6 mt -108.53 156.14 19.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.497 -0.352 . . . . 0.63 110.454 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' B' ' 38' ' ' PRO . 73.6 m-85 -105.07 133.27 50.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.19 -0.459 . . . . 0.55 110.527 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -119.64 152.74 36.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.552 -0.749 . . . . 0.55 110.157 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.634 ' HB2' ' HE1' ' B' ' 39' ' ' HIS . 46.0 tp -92.5 126.61 37.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.888 0.375 . . . . 0.84 110.885 -177.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.607 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -153.16 163.62 30.64 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.654 -0.784 . . . . 0.2 112.483 179.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -111.3 127.09 55.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.76 0.314 . . . . 0.91 110.854 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.6 mt -67.68 114.6 4.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.069 -0.514 . . . . 0.33 110.593 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.517 ' HB3' HD12 ' A' ' 71' ' ' LEU . 3.5 tppp? -94.26 -42.32 8.99 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.885 -0.413 . . . . 1.08 109.885 178.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 93.8 mtt180 -127.51 152.86 47.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.159 -0.473 . . . . 3.23 109.957 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.2 p -130.26 134.22 62.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.254 0.55 . . . . 1.07 110.732 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.3 t -121.37 105.58 10.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.757 -0.656 . . . . 1.26 109.801 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.4 p -80.12 -32.54 39.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.34 -0.391 . . . . 1.26 110.989 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.404 ' HB2' ' HD2' ' A' ' 67' ' ' LYS . 14.4 m -67.13 -41.73 85.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.999 0.428 . . . . 1.25 110.848 -178.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -94.46 -4.15 48.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 2.3 110.556 -179.487 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 53.0 61.45 3.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.682 -0.69 . . . . 1.67 110.561 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.425 ' HB3' HD23 ' A' ' 83' ' ' LEU . 27.3 p -151.15 160.73 43.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.146 -0.934 . . . . 1.23 109.731 -178.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.4 m -136.03 139.83 43.4 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.659 0.266 . . . . 1.05 110.611 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 61' ' ' LYS . 3.4 tm? -80.63 107.82 13.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.693 -1.225 . . . . 0.83 107.693 173.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.48 HG21 ' SG ' ' A' ' 48' ' ' CYS . 62.4 t -105.01 129.94 56.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.936 -0.575 . . . . 0.21 110.316 -176.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.8 m -106.38 101.49 10.96 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.699 -0.852 . . . . 0.35 108.699 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.607 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 95.4 m-85 -69.47 173.75 5.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.404 -0.816 . . . . 0.3 111.883 -171.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.23 -16.16 63.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.492 0.663 . . . . 2.31 110.3 174.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.747 ' HB2' ' HB2' ' B' ' 36' ' ' M3L . 32.7 t70 -81.95 -3.67 54.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.251 -0.886 . . . . 1.84 110.327 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 74.01 -3.2 2.58 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.276 -0.874 . . . . 1.95 110.871 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 p -73.1 139.5 46.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.954 0.407 . . . . 1.36 110.274 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HE3' HD11 ' A' ' 71' ' ' LEU . 25.4 mtpp -111.47 130.36 55.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.081 -0.509 . . . . 1.63 109.876 -178.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -146.84 145.68 29.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.625 -0.261 . . . . 0.76 110.862 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -87.11 108.1 18.74 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.195 -0.668 . . . . 0.31 109.195 172.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.434 ' HB ' HD11 ' A' ' 87' ' ' ILE . 19.0 t -104.68 142.93 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.366 -0.605 . . . . 0.44 109.366 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 69' ' ' SER . 65.5 mt -79.53 152.12 30.34 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.046 -0.353 . . . . 1.02 110.046 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 48.4 m0 -60.84 -26.88 67.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 0.48 110.903 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -68.13 -7.34 29.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 2.93 111.977 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.601 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 16.3 m-20 -128.82 9.76 5.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.652 0.263 . . . . 0.48 111.302 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.434 HD11 ' HB ' ' A' ' 82' ' ' VAL . 70.3 mt -111.21 120.9 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.903 0.383 . . . . 0.33 111.116 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -110.73 165.7 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.654 -0.703 . . . . 2.19 109.469 176.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.485 ' HD2' ' HB3' ' A' ' 38' ' ' SER . 2.2 m-70 -85.67 143.95 28.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.684 0.278 . . . . 1.33 110.928 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.61 137.0 44.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.404 . . . . 0.57 110.505 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.32 13.9 67.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.903 -0.665 . . . . 1.51 112.613 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.559 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 32.7 m -113.17 162.27 22.83 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.359 -0.237 . . . . 2.16 110.359 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.559 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 37.6 Cg_endo -67.46 -20.41 48.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.226 1.951 . . . . 2.82 111.689 177.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 159.72 -61.87 0.3 Allowed Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.619 -0.719 . . . . 3.95 111.883 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.579 -0.724 . . . . 5.9 110.841 -177.925 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.87 0.367 . . . . 9.65 110.542 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 12.6 p -107.13 -69.89 0.82 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.606 -0.27 . . . . 8.7 110.958 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.1 45.27 95.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.165 -0.541 . . . . 6.09 112.437 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -87.21 -171.05 47.17 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.849 -0.691 . . . . 3.6 112.198 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.555 ' CG2' ' HA ' ' A' ' 76' ' ' ASP . 25.3 m -100.93 6.78 9.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.275 0.559 . . . . 2.89 110.37 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' M3L . . . . . 0.747 ' HB2' ' HB2' ' A' ' 76' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.428 -0.805 . . . . 1.79 110.541 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -110.46 114.76 54.86 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.953 -0.567 . . . . 3.05 110.419 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 59.2 Cg_endo -74.66 100.35 1.32 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.411 2.074 . . . . 1.23 112.016 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.634 ' HE1' ' HB2' ' A' ' 57' ' ' LEU . 34.8 p-80 -94.95 13.81 23.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.674 0.274 . . . . 2.4 111.25 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? 68.68 179.44 0.24 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.639 -0.71 . . . . 4.75 111.707 176.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 49.3 t80 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.654 -0.688 . . . . 3.33 110.01 178.32 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 109.854 -0.424 . . . . 2.19 109.854 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 65.44 81.95 0.19 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.456 0.646 . . . . 3.92 110.337 -175.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 40' ' ' LEU . 2.4 mm? -117.19 136.72 52.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.281 -0.872 . . . . 1.49 109.795 -176.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.0 m -148.5 149.48 31.72 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.827 -0.434 . . . . 0.49 109.827 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -65.15 144.93 56.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.895 0.379 . . . . 1.1 110.802 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.495 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 88.04 10.86 68.41 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.837 -0.697 . . . . 0.46 112.71 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -111.45 145.91 38.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.763 -0.257 . . . . 1.09 110.677 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -87.56 134.83 33.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.888 0.375 . . . . 0.96 110.28 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.411 HG23 ' SG ' ' A' ' 48' ' ' CYS . 13.0 m -142.24 153.16 18.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.019 -0.537 . . . . 0.21 111.231 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 55' ' ' TYR . 78.8 mt -91.99 110.88 22.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.421 -0.955 . . . . 0.54 108.421 172.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.589 ' SG ' HG21 ' A' ' 72' ' ' VAL . 57.5 m -100.83 118.61 37.24 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.894 0.378 . . . . 0.87 110.643 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.623 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 69.6 ttt-85 -79.77 129.36 34.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.629 -0.714 . . . . 2.76 110.526 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -96.95 174.76 6.62 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.289 -0.634 . . . . 0.88 109.289 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -58.92 -21.23 57.56 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.07 0.462 . . . . 1.69 111.696 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.15 -10.04 59.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.342 -0.39 . . . . 1.91 110.943 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.35 -1.96 80.27 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.039 -0.6 . . . . 0.62 112.291 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.72 HD23 ' HD3' ' B' ' 40' ' ' ARG . 93.9 mt -88.93 151.81 22.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.408 -0.219 . . . . 0.63 110.408 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.792 ' HB2' ' HB2' ' B' ' 39' ' ' HIS . 54.9 m-85 -104.85 137.97 41.82 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.052 -0.722 . . . . 0.55 109.052 176.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -125.26 138.9 54.1 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.636 0.255 . . . . 0.55 110.523 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' HD2' ' B' ' 37' ' ' LYS . 0.5 OUTLIER -75.44 131.28 40.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.044 -0.526 . . . . 0.84 110.562 -179.141 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.97 170.56 36.12 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.755 -0.657 . . . . 0.2 111.719 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 74.9 tttt -115.85 125.16 52.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.581 0.229 . . . . 0.91 110.693 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.24 114.63 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.33 110.359 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -96.18 -34.97 11.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.814 -0.63 . . . . 1.08 109.858 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.472 ' HB2' ' HB3' ' A' ' 71' ' ' LEU . 97.9 mtt180 -142.01 152.05 43.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.032 -0.531 . . . . 3.23 109.899 176.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 p -126.47 125.53 67.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.849 0.357 . . . . 1.07 110.152 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -113.96 104.42 12.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.041 0.448 . . . . 1.26 110.251 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.613 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 13.1 p -69.55 -40.92 76.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.979 -0.555 . . . . 1.26 111.393 -178.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.0 m -69.44 -21.21 63.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.75 0.31 . . . . 1.25 111.654 -177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -106.76 -1.45 22.6 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.092 -0.243 . . . . 2.3 111.054 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 53.3 36.75 23.59 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.544 0.528 . . . . 1.67 111.501 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.662 ' HB3' HD23 ' A' ' 83' ' ' LEU . 1.5 p -147.93 161.21 41.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.947 -0.569 . . . . 1.23 110.718 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.7 m -125.91 147.87 49.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.285 -0.416 . . . . 1.05 110.633 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 62' ' ' ARG . 61.3 tp -88.37 108.08 19.16 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.434 -0.95 . . . . 0.83 108.434 174.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.589 HG21 ' SG ' ' A' ' 48' ' ' CYS . 48.4 t -106.6 129.88 59.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.112 -0.494 . . . . 0.21 111.206 -172.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.6 m -93.43 102.21 14.43 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.115 -0.698 . . . . 0.35 109.115 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.616 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 97.4 m-85 -77.54 178.03 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.118 0.485 . . . . 0.3 111.566 -174.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.83 -16.32 64.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.579 -0.737 . . . . 2.31 110.427 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 34.4 t70 -79.48 -4.37 50.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.374 -0.83 . . . . 1.84 109.822 175.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 76' ' ' ASP . 24.1 t-20 77.76 -31.28 0.16 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.129 0.972 . . . . 1.95 111.632 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -61.94 137.11 58.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.794 0.331 . . . . 1.36 110.63 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 47.7 mtmt -99.37 131.78 45.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.12 -0.491 . . . . 1.63 110.275 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.616 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 99.3 m-85 -130.87 145.14 51.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.415 -0.357 . . . . 0.76 110.395 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -84.85 109.14 17.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.199 -0.455 . . . . 0.31 110.074 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 48' ' ' CYS . 22.6 t -108.87 140.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.052 -0.522 . . . . 0.44 109.795 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.662 HD23 ' HB3' ' A' ' 69' ' ' SER . 95.9 mt -70.9 149.53 46.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.558 0.218 . . . . 1.02 110.593 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.613 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 54.2 m0 -58.28 -28.39 64.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.48 111.248 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -68.64 -21.24 64.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.043 -0.526 . . . . 2.93 111.26 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.623 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 30.1 m-20 -105.2 -7.63 18.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.383 -0.371 . . . . 0.48 110.848 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 66.4 mt -95.42 115.9 35.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.29 0.567 . . . . 0.33 110.976 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -112.38 151.0 30.31 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.105 -0.702 . . . . 2.19 109.105 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -66.58 134.85 53.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.653 0.263 . . . . 1.33 110.588 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.48 150.52 20.73 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.538 -0.542 . . . . 0.57 109.538 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.02 18.28 54.37 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.568 -0.825 . . . . 1.51 111.287 -176.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.0 m -87.03 149.41 47.53 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.561 -0.32 . . . . 2.16 110.522 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.04 178.8 6.05 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 122.64 2.227 . . . . 2.82 111.839 175.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.51 93.37 0.71 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.713 -0.756 . . . . 3.95 111.756 177.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.738 -0.649 . . . . 5.9 110.066 -178.64 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.841 0.353 . . . . 9.65 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 8.9 t -115.84 24.16 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.46 0.648 . . . . 8.7 110.251 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.09 171.9 14.05 Favored Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.689 -0.687 . . . . 6.09 111.805 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.97 23.32 29.51 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.989 -0.624 . . . . 3.6 111.577 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -136.09 140.24 44.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 110.075 -0.342 . . . . 2.89 110.075 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 116.323 -0.399 . . . . 1.79 110.052 179.7 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.464 ' HD2' HD12 ' A' ' 57' ' ' LEU . 55.0 mttp -65.05 116.9 34.13 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 3.05 111.51 -177.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 46.1 Cg_endo -94.07 104.18 0.14 Allowed 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 123.498 2.799 . . . . 1.23 112.46 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.792 ' HB2' ' HB2' ' A' ' 55' ' ' TYR . 64.6 m-70 -92.78 161.93 14.32 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.035 -0.53 . . . . 2.4 110.09 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.72 ' HD3' HD23 ' A' ' 54' ' ' LEU . 9.1 tpt180 -152.13 110.69 3.77 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.811 -0.44 . . . . 4.75 109.811 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.4 -0.81 . . . . 3.33 110.441 -177.617 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.459 ' HB2' ' HE1' ' A' ' 89' ' ' HIS . 16.0 p . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 120.683 0.278 . . . . 2.19 110.293 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -75.66 124.12 26.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.589 -0.523 . . . . 3.92 109.589 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.8 mt -106.91 161.22 14.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.265 0.555 . . . . 1.49 111.191 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.496 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 16.4 m -148.64 147.41 28.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.86 -0.609 . . . . 0.49 109.662 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.515 ' OE2' ' HA ' ' A' ' 62' ' ' ARG . 29.0 mt-10 -73.3 151.91 41.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.737 0.303 . . . . 1.1 110.757 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.518 ' HA2' ' HE2' ' A' ' 59' ' ' LYS . . . 79.39 13.57 82.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.124 -0.56 . . . . 0.46 111.986 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.496 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 22.9 mt-30 -110.43 156.57 20.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.735 0.302 . . . . 1.09 110.39 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 81.5 m-85 -99.42 129.76 45.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.915 -0.584 . . . . 0.96 109.611 178.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.423 HG23 ' SG ' ' A' ' 48' ' ' CYS . 17.4 m -135.77 153.85 33.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.971 -0.559 . . . . 0.21 111.56 -173.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.522 HD22 ' NE2' ' B' ' 39' ' ' HIS . 38.9 mt -92.97 110.73 22.2 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.508 -0.923 . . . . 0.54 108.508 174.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.503 ' SG ' HG21 ' A' ' 72' ' ' VAL . 60.9 m -103.55 121.93 43.9 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.176 -0.466 . . . . 0.87 110.454 -175.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.544 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 25.0 ttt180 -82.05 115.97 21.43 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.943 -0.571 . . . . 2.76 110.303 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -77.76 159.99 28.69 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.021 -0.733 . . . . 0.88 109.021 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 m -68.33 -0.03 4.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.196 0.522 . . . . 1.69 111.502 -175.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -83.88 -15.71 47.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.159 0.504 . . . . 1.91 110.215 175.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.82 2.76 55.16 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.884 -0.674 . . . . 0.62 112.528 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.2 mt -106.12 159.82 15.79 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.198 -0.297 . . . . 0.63 110.198 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 46.1 m-85 -106.37 144.01 33.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.879 0.371 . . . . 0.55 110.47 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -130.21 155.48 46.19 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.826 -0.625 . . . . 0.55 109.869 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.9 tp -96.24 136.36 36.82 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.119 -0.326 . . . . 0.84 110.119 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.88 169.59 35.2 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.662 -0.78 . . . . 0.2 112.144 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.518 ' HE2' ' HA2' ' A' ' 43' ' ' GLY . 45.3 tttm -116.61 124.9 50.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.648 0.261 . . . . 0.91 110.341 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.16 113.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.33 110.55 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -87.34 -40.11 14.74 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.92 -0.582 . . . . 1.08 109.944 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.515 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 66.8 ttt180 -146.31 133.99 21.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.874 -0.603 . . . . 3.23 110.674 -177.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.497 HG23 ' SG ' ' A' ' 70' ' ' CYS . 10.8 p -105.41 141.73 20.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.436 -0.347 . . . . 1.07 110.513 178.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.9 m -137.19 105.28 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.104 0.478 . . . . 1.26 110.623 176.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.457 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 14.0 p -71.72 -37.39 70.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.704 -0.68 . . . . 1.26 112.304 -175.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.1 m -65.71 -23.81 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.881 0.326 . . . . 1.25 111.881 -173.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -108.31 -1.59 19.94 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.103 -0.239 . . . . 2.3 110.661 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 51.06 47.14 25.4 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.985 -0.552 . . . . 1.67 111.03 -176.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -143.63 150.43 38.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.707 -0.679 . . . . 1.23 109.845 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.497 ' SG ' HG23 ' A' ' 63' ' ' VAL . 73.2 m -127.94 140.13 52.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.948 0.404 . . . . 1.05 110.77 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 79' ' ' LYS . 57.4 tp -80.03 108.63 13.77 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.821 -0.807 . . . . 0.83 108.821 174.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.503 HG21 ' SG ' ' A' ' 48' ' ' CYS . 53.9 t -105.4 134.95 45.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.243 -0.435 . . . . 0.21 110.998 -175.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.1 m -96.72 105.71 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.145 -0.687 . . . . 0.35 109.145 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.707 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 98.2 m-85 -78.23 177.83 8.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.034 0.445 . . . . 0.3 111.627 -174.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' B' ' 36' ' ' M3L . 18.5 mm-40 -57.25 -28.64 63.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.485 -0.779 . . . . 2.31 111.882 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.762 ' HA ' ' HA2' ' B' ' 34' ' ' GLY . 12.1 p-10 -91.55 23.07 3.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.707 0.289 . . . . 1.84 110.516 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.4 p30 53.84 21.78 2.94 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.755 1.222 . . . . 1.95 112.685 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 m -99.42 139.5 34.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.1 -0.333 . . . . 1.36 110.1 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.759 ' HB3' HD11 ' A' ' 71' ' ' LEU . 98.0 mttt -100.66 131.7 46.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.086 -0.506 . . . . 1.63 110.84 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.707 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 49.3 m-85 -142.21 144.96 33.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.21 -0.45 . . . . 0.76 110.504 176.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -85.71 109.44 18.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.019 -0.537 . . . . 0.31 110.468 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.541 ' HB ' HD11 ' A' ' 87' ' ' ILE . 21.5 t -107.38 144.18 16.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.031 -0.729 . . . . 0.44 109.031 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.563 HD22 ' HE2' ' A' ' 85' ' ' LYS . 8.0 mp -79.98 153.92 28.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.816 0.341 . . . . 1.02 110.748 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 47.3 m0 -59.26 -27.15 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 0.48 111.843 -176.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.563 ' HE2' HD22 ' A' ' 83' ' ' LEU . 62.7 pttt -63.01 -25.32 68.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 2.93 111.578 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.544 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 59.4 m-20 -106.49 -6.85 17.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.704 0.288 . . . . 0.48 111.193 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.541 HD11 ' HB ' ' A' ' 82' ' ' VAL . 67.9 mt -101.46 122.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.203 0.525 . . . . 0.33 111.499 -176.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.415 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 1.9 mp0 -120.9 165.61 14.96 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.525 -0.917 . . . . 2.19 108.525 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.459 ' HE1' ' HB2' ' A' ' 38' ' ' SER . 76.6 m80 -79.11 149.93 31.92 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.147 -0.316 . . . . 1.33 110.147 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.84 141.37 33.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.759 0.314 . . . . 0.57 110.622 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.94 7.62 70.38 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.877 -0.678 . . . . 1.51 113.121 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.3 m -83.99 161.81 54.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 122.789 -0.242 . . . . 2.16 110.733 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -52.65 115.01 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.749 2.299 . . . . 2.82 111.555 173.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.04 -15.86 5.82 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.005 -0.838 . . . . 3.95 111.005 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--O 1.254 1.305 0 CA-C-O 118.513 -0.756 . . . . 5.9 109.598 175.894 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 120.881 0.372 . . . . 9.65 110.748 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.68 122.6 14.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.014 -0.539 . . . . 8.7 110.838 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.56 -130.46 10.31 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.666 -0.778 . . . . 6.09 111.842 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.762 ' HA2' ' HA ' ' A' ' 76' ' ' ASP . . . -145.1 -162.97 9.85 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.713 -0.756 . . . . 3.6 112.224 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 64.0 t 62.27 93.83 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 123.092 0.557 . . . . 2.89 111.261 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' M3L . . . . . 0.45 ' HA ' ' HB2' ' A' ' 75' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.17 -0.468 . . . . 1.79 111.035 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -86.18 123.68 71.31 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.016 -0.538 . . . . 3.05 110.422 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.91 149.39 22.86 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.672 2.248 . . . . 1.23 112.311 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.522 ' NE2' HD22 ' A' ' 47' ' ' LEU . 17.3 p-80 -136.52 179.82 6.13 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.834 -0.621 . . . . 2.4 110.076 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -112.09 178.43 4.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.421 -0.354 . . . . 4.75 110.303 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 84.6 t80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.558 -0.734 . . . . 3.33 109.446 178.78 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 110.182 -0.303 . . . . 2.19 110.182 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.5 tptp 62.96 102.74 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.579 0.704 . . . . 3.92 111.732 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -94.25 145.21 24.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.638 -0.71 . . . . 1.49 109.799 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.8 m -136.49 148.76 47.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.816 0.341 . . . . 0.49 110.409 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.28 125.51 26.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.247 -0.433 . . . . 1.1 110.811 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.42 0.16 50.18 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.878 -0.677 . . . . 0.46 112.51 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -83.25 140.75 32.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.891 0.377 . . . . 1.09 111.106 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -88.92 122.76 32.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.967 -0.56 . . . . 0.96 109.532 173.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.432 HG11 HD11 ' A' ' 60' ' ' ILE . 29.4 m -130.75 153.43 39.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.931 -0.577 . . . . 0.21 110.89 -175.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.548 HD22 ' NE2' ' B' ' 39' ' ' HIS . 62.2 mt -86.55 110.22 19.65 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.176 -1.046 . . . . 0.54 108.176 172.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.694 ' HB2' ' HE1' ' A' ' 74' ' ' PHE . 59.2 m -95.26 117.53 30.43 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.201 0.524 . . . . 0.87 109.788 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.595 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 70.0 ttt-85 -88.24 125.28 34.57 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.353 -0.839 . . . . 2.76 109.81 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -85.16 164.85 17.88 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.982 -0.748 . . . . 0.88 108.982 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 m -63.5 -11.18 21.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.895 0.379 . . . . 1.69 111.58 -176.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.52 -15.91 56.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.092 0.472 . . . . 1.91 110.559 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.23 9.64 47.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.831 -0.7 . . . . 0.62 112.713 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.2 mt -107.24 152.64 23.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.779 -0.248 . . . . 0.63 110.586 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 36.8 m-85 -106.82 142.16 36.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.949 0.404 . . . . 0.55 110.907 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -128.32 140.94 51.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.71 -0.677 . . . . 0.55 109.234 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.6 tp -81.31 130.65 35.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.829 0.347 . . . . 0.84 110.501 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -151.48 170.81 31.05 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.854 -0.688 . . . . 0.2 112.474 -177.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -118.08 123.92 46.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.719 0.295 . . . . 0.91 110.909 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.432 HD11 HG11 ' A' ' 46' ' ' VAL . 67.5 mt -66.38 124.26 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.33 110.694 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -101.28 -53.06 3.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.335 -0.393 . . . . 1.08 110.443 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -126.68 126.93 44.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.09 -0.504 . . . . 3.23 110.191 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.435 HG23 ' SG ' ' A' ' 70' ' ' CYS . 7.1 p -109.91 133.95 53.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.836 0.35 . . . . 1.07 110.392 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.0 p -121.4 103.4 8.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.081 0.467 . . . . 1.26 110.366 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.587 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 20.6 t -68.24 -36.39 79.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 1.26 110.879 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.6 m -71.39 -16.65 62.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.968 0.413 . . . . 1.25 111.29 -177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -113.12 -9.56 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.108 -0.496 . . . . 2.3 111.532 -174.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 56.6 43.46 25.55 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.184 0.516 . . . . 1.67 110.782 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t -148.41 156.99 43.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 1.23 110.159 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.473 ' HG ' ' HE1' ' A' ' 84' ' ' TRP . 77.9 m -135.9 137.69 41.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.314 -0.403 . . . . 1.05 110.814 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.406 ' HB2' ' CE2' ' A' ' 81' ' ' TRP . 60.3 tp -79.95 108.61 13.66 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.58 -0.896 . . . . 0.83 108.58 172.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.608 HG11 ' SG ' ' A' ' 48' ' ' CYS . 59.1 t -110.28 135.73 48.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.0 -0.546 . . . . 0.21 110.884 -174.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.8 m -101.4 107.3 18.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.37 -0.604 . . . . 0.35 109.37 174.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.694 ' HE1' ' HB2' ' A' ' 48' ' ' CYS . 91.8 m-85 -69.35 168.58 14.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.176 -0.466 . . . . 0.3 110.144 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.29 -14.96 55.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.355 0.598 . . . . 2.31 110.326 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.6 -1.18 29.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.436 -0.802 . . . . 1.84 110.492 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 73.84 1.98 4.08 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.366 0.666 . . . . 1.95 110.901 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 p -89.71 139.4 30.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.256 -0.429 . . . . 1.36 110.635 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 33.1 mtmm -108.38 131.8 54.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 1.63 110.544 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -142.16 150.34 40.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.22 -0.445 . . . . 0.76 110.478 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.406 ' CE2' ' HB2' ' A' ' 71' ' ' LEU . 82.2 m95 -88.1 109.23 19.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.393 -0.367 . . . . 0.31 110.208 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.431 ' HB ' HD11 ' A' ' 87' ' ' ILE . 25.3 t -104.61 144.09 15.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.208 -0.664 . . . . 0.44 109.208 177.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.4 mp -81.0 154.41 26.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.078 -0.341 . . . . 1.02 110.078 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.587 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 50.1 m0 -61.93 -23.64 66.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 0.48 111.094 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -62.06 -21.37 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.756 -0.657 . . . . 2.93 111.644 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 45.7 m-20 -121.55 12.55 10.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.644 0.259 . . . . 0.48 111.073 -178.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.431 HD11 ' HB ' ' A' ' 82' ' ' VAL . 64.1 mt -112.32 120.59 62.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.861 0.363 . . . . 0.33 110.88 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 6.0 tp60 -129.74 138.36 51.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.057 -0.519 . . . . 2.19 109.924 178.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.479 ' HB2' HG21 ' A' ' 92' ' ' VAL . 66.5 m80 -63.64 142.93 58.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.709 0.29 . . . . 1.33 111.473 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.77 133.72 47.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.489 -0.323 . . . . 0.57 110.432 177.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.07 24.13 35.76 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.783 -0.723 . . . . 1.51 112.537 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 89' ' ' HIS . 34.8 m -122.41 147.88 51.11 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.678 0.275 . . . . 2.16 110.68 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.36 -34.23 93.67 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.642 2.228 . . . . 2.82 112.237 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 99.78 12.78 39.47 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.424 -0.671 . . . . 3.95 111.424 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.326 -0.845 . . . . 5.9 110.288 -176.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.396 0.141 . . . . 9.65 110.813 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 35.4 p 49.46 -98.91 0.06 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.673 0.789 . . . . 8.7 112.486 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.48 150.64 14.67 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.51 -0.636 . . . . 6.09 111.51 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.19 16.17 33.41 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.783 -0.722 . . . . 3.6 112.401 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 19.2 m -132.99 142.39 42.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.752 0.311 . . . . 2.89 110.431 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 121.137 0.494 . . . . 1.79 110.801 178.824 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.704 ' H ' ' HD3' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -79.31 127.03 80.19 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.023 -0.535 . . . . 3.05 110.361 178.424 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 3.5 Cg_exo -80.79 106.27 1.79 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 123.081 2.521 . . . . 1.23 111.402 176.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.548 ' NE2' HD22 ' A' ' 47' ' ' LEU . 31.0 p-80 -111.92 175.94 5.22 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.145 -0.48 . . . . 2.4 110.483 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.95 170.56 8.02 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.283 -0.636 . . . . 4.75 109.283 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 16.4 t80 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.611 -0.709 . . . . 3.33 110.083 179.119 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.519 0.2 . . . . 2.19 111.075 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -72.69 107.95 5.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.967 0.413 . . . . 3.92 110.567 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -101.79 134.14 45.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.989 -0.55 . . . . 1.49 110.777 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.446 ' H ' ' NE2' ' A' ' 44' ' ' GLN . 62.7 m -112.98 146.42 39.08 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.614 -0.721 . . . . 0.49 110.036 177.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' A' ' 60' ' ' ILE . 20.0 mt-10 -66.83 152.56 45.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.094 -0.503 . . . . 1.1 111.583 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.505 ' HA2' ' HE3' ' A' ' 59' ' ' LYS . . . 80.31 18.87 70.49 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.879 -0.677 . . . . 0.46 112.978 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' NE2' ' H ' ' A' ' 41' ' ' THR . 33.6 mt-30 -112.31 155.1 24.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.947 -0.39 . . . . 1.09 109.947 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -93.95 132.03 38.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.951 0.405 . . . . 0.96 110.167 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.7 m -136.12 156.0 36.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.909 -0.587 . . . . 0.21 110.911 -177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 88' ' ' GLN . 59.4 mt -99.3 110.96 23.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.765 -0.828 . . . . 0.54 108.765 176.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.674 ' HB3' HG21 ' A' ' 82' ' ' VAL . 57.3 m -96.19 118.19 32.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.095 -0.502 . . . . 0.87 111.028 -173.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.644 ' HB3' ' HB3' ' A' ' 86' ' ' ASP . 23.1 ttt180 -84.77 123.87 30.91 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.585 -0.734 . . . . 2.76 110.904 -179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.522 ' HB2' ' HE2' ' A' ' 56' ' ' TYR . 4.9 t-105 -81.42 172.68 13.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.453 -0.794 . . . . 0.88 109.179 176.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 t -64.68 -12.01 41.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.017 0.436 . . . . 1.69 110.956 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -82.91 -10.48 58.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 1.91 111.386 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.57 -1.91 69.67 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.636 -0.792 . . . . 0.62 112.583 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 95.9 mt -89.35 148.7 23.37 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.112 -0.329 . . . . 0.63 110.112 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.724 ' HB2' ' HB2' ' B' ' 39' ' ' HIS . 51.1 m-85 -105.0 154.83 19.59 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.645 -0.502 . . . . 0.55 109.645 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.522 ' HE2' ' HB2' ' A' ' 50' ' ' TRP . 89.3 m-85 -137.03 138.87 40.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.284 -0.265 . . . . 0.55 110.284 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -75.27 122.43 23.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.029 0.442 . . . . 0.84 110.927 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 74' ' ' PHE . . . -150.41 170.93 30.33 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.801 -0.636 . . . . 0.2 112.086 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HE3' ' HA2' ' A' ' 43' ' ' GLY . 80.8 tttt -114.5 130.38 56.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.693 0.283 . . . . 0.91 111.292 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.722 HG23 ' SG ' ' A' ' 70' ' ' CYS . 78.1 mt -60.83 111.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.33 110.424 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -98.62 -32.16 11.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.83 -0.623 . . . . 1.08 110.276 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -158.54 135.75 9.97 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.438 -0.579 . . . . 3.23 109.438 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.59 129.9 69.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.047 0.451 . . . . 1.07 110.808 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.4 t -109.55 108.6 19.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.516 . . . . 1.26 110.275 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.464 ' HA ' ' CH2' ' A' ' 84' ' ' TRP . 14.2 p -74.0 -32.39 63.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.342 -0.39 . . . . 1.26 110.657 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.8 m -66.58 -41.92 87.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 1.25 111.397 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -93.46 -5.9 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.093 -0.243 . . . . 2.3 111.641 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 58.52 37.19 25.56 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.226 0.536 . . . . 1.67 109.889 -176.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.517 ' HB2' HD23 ' A' ' 83' ' ' LEU . 32.8 t -136.45 167.52 21.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.616 -0.72 . . . . 1.23 110.058 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.722 ' SG ' HG23 ' A' ' 60' ' ' ILE . 53.5 t -140.73 135.51 31.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.963 0.411 . . . . 1.05 111.021 -178.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.8 tp -81.3 108.99 15.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.934 -0.765 . . . . 0.83 108.934 173.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 79' ' ' LYS . 62.0 t -109.5 135.41 48.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.943 -0.571 . . . . 0.21 111.03 -174.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 m -101.2 106.16 17.35 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.674 -0.491 . . . . 0.35 109.674 177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.462 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 85.3 m-85 -75.93 176.21 8.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.856 0.36 . . . . 0.3 111.331 -176.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.28 -25.57 67.19 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.104 -0.498 . . . . 2.31 110.814 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 77' ' ' ASN . 33.1 t70 -79.82 3.46 19.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.736 -0.666 . . . . 1.84 110.569 177.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 0.9 OUTLIER 72.22 -1.03 3.04 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.47 -0.786 . . . . 1.95 111.306 176.006 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.542 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . 0.8 OUTLIER -79.06 137.13 37.4 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.977 -0.556 . . . . 1.36 110.357 177.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 50.8 mtmt -110.21 130.81 55.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.14 -0.482 . . . . 1.63 110.313 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 78' ' ' SER . 97.5 m-85 -139.16 160.02 40.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.281 -0.418 . . . . 0.76 109.966 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -96.25 112.38 24.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.455 -0.339 . . . . 0.31 110.289 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.674 HG21 ' HB3' ' A' ' 48' ' ' CYS . 21.5 t -110.76 130.87 63.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.37 -0.377 . . . . 0.44 110.047 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 69' ' ' SER . 96.6 mt -62.59 143.23 57.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.429 -0.35 . . . . 1.02 110.475 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.464 ' CH2' ' HA ' ' A' ' 65' ' ' SER . 45.4 m0 -57.45 -24.83 57.98 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.208 0.528 . . . . 0.48 110.527 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -61.76 -29.11 69.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.401 -0.818 . . . . 2.93 111.135 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.644 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 46.1 m-20 -113.51 11.01 18.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.925 0.393 . . . . 0.48 111.032 -175.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 62.1 mt -98.81 120.49 48.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.006 0.431 . . . . 0.33 110.672 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 11.0 tp60 -105.8 163.16 12.93 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.388 -0.968 . . . . 2.19 108.388 176.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -88.24 134.44 33.79 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.692 -0.403 . . . . 1.33 109.957 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.16 121.82 27.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.57 110.324 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.22 23.98 23.24 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.225 -0.75 . . . . 1.51 111.225 -176.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.559 HG22 ' H ' ' A' ' 94' ' ' GLY . 13.5 p -84.38 137.78 39.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.721 -0.474 . . . . 2.16 109.721 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -56.6 -25.63 60.31 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.743 2.296 . . . . 2.82 112.499 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.559 ' H ' HG22 ' A' ' 92' ' ' VAL . . . 115.04 1.72 22.28 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.765 -0.731 . . . . 3.95 112.006 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.798 -0.62 . . . . 5.9 109.577 179.325 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.427 -0.212 . . . . 9.65 110.427 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 25.6 m -83.25 -53.77 5.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.829 0.347 . . . . 8.7 110.649 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.15 -21.34 1.51 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.833 -0.699 . . . . 6.09 112.279 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.47 ' N ' ' HA ' ' A' ' 76' ' ' ASP . . . 176.74 -179.76 47.56 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.74 -0.743 . . . . 3.6 111.714 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 p -89.94 106.16 16.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.834 0.826 . . . . 2.89 110.749 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' M3L . . . . . 0.425 HM23 ' HD2' ' B' ' 36' ' ' M3L . . . . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.145 -0.934 . . . . 1.79 109.608 178.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 22.1 pttm -73.41 129.42 85.76 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 3.05 111.146 -176.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.568 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 3.3 Cg_exo -81.6 131.24 7.24 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.385 2.724 . . . . 1.23 112.276 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.724 ' HB2' ' HB2' ' A' ' 55' ' ' TYR . 75.2 m80 -99.38 135.64 40.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.869 -0.605 . . . . 2.4 109.805 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.431 ' N ' ' HD2' ' B' ' 40' ' ' ARG . 6.4 mpt_? -103.91 99.88 9.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.863 0.363 . . . . 4.75 110.843 -177.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.582 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 48.0 m-85 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.628 -0.701 . . . . 3.33 110.219 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.457 ' HB3' ' CE1' ' A' ' 89' ' ' HIS . 16.0 m . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.806 0.336 . . . . 2.19 110.271 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.91 133.63 34.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.15 0.5 . . . . 3.92 110.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 84' ' ' TRP . 90.3 mt -108.67 141.68 40.27 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.232 -0.44 . . . . 1.49 111.526 -173.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.6 m -129.64 147.46 51.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.845 -0.616 . . . . 0.49 109.811 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -70.66 140.23 51.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.903 0.382 . . . . 1.1 110.696 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' HA2' ' HE2' ' A' ' 59' ' ' LYS . . . 99.28 -6.52 59.59 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.893 -0.67 . . . . 0.46 111.965 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -91.98 146.45 23.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.708 0.29 . . . . 1.09 110.728 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -89.06 126.07 35.28 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.62 -0.511 . . . . 0.96 109.62 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' HB ' HG23 ' A' ' 87' ' ' ILE . 23.4 m -134.04 153.84 36.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.328 0.585 . . . . 0.21 111.684 -175.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.9 mt -88.77 111.45 22.01 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.153 -0.93 . . . . 0.54 108.964 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.493 ' SG ' HG11 ' A' ' 72' ' ' VAL . 35.6 m -98.64 119.86 38.1 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.794 -0.639 . . . . 0.87 110.247 -176.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.507 ' NH1' ' HA ' ' A' ' 86' ' ' ASP . 35.3 ttm180 -86.51 113.76 22.7 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.683 -0.69 . . . . 2.76 110.479 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -83.21 173.14 11.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.042 -0.526 . . . . 0.88 109.606 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.3 m -63.27 -14.27 47.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 1.69 111.756 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -76.11 -9.15 58.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.816 0.341 . . . . 1.91 110.847 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.51 11.37 82.05 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.904 -0.665 . . . . 0.62 111.645 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.7 mt -103.7 156.94 17.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.09 -0.337 . . . . 0.63 110.09 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -105.77 135.63 46.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.034 0.445 . . . . 0.55 110.761 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -127.04 136.24 51.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.802 -0.636 . . . . 0.55 109.826 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -80.7 128.23 33.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.926 0.393 . . . . 0.84 110.485 -178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -149.18 165.6 29.4 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.901 -0.666 . . . . 0.2 111.859 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' HE2' ' HA2' ' A' ' 43' ' ' GLY . 52.3 tttm -107.56 124.73 50.36 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.564 0.221 . . . . 0.91 110.709 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.07 111.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.43 -0.35 . . . . 0.33 110.291 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -90.56 -34.43 15.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.033 0.444 . . . . 1.08 110.147 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.437 ' HB3' ' HB3' ' A' ' 71' ' ' LEU . 74.6 ttt180 -146.79 134.86 21.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.782 -0.645 . . . . 3.23 109.986 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.562 HG23 ' SG ' ' A' ' 70' ' ' CYS . 9.1 p -107.98 135.16 47.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.584 -0.525 . . . . 1.07 109.584 174.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.446 ' OG ' ' HD3' ' A' ' 67' ' ' LYS . 35.8 t -123.66 108.49 12.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.968 0.413 . . . . 1.26 110.631 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 56.5 p -73.59 -20.58 60.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.07 -0.514 . . . . 1.26 110.321 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.9 m -73.2 -37.91 66.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.156 -0.475 . . . . 1.25 110.999 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HD3' ' OG ' ' A' ' 64' ' ' SER . 4.3 mptp? -98.93 -6.09 29.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 2.3 111.48 -177.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 58.11 32.46 22.03 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.055 0.455 . . . . 1.67 110.749 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.668 ' HB3' HD23 ' A' ' 83' ' ' LEU . 19.1 p -141.72 167.03 23.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.81 -0.632 . . . . 1.23 110.469 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.562 ' SG ' HG23 ' A' ' 63' ' ' VAL . 75.7 m -130.01 139.92 50.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.086 -0.507 . . . . 1.05 110.396 177.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.457 HD21 ' HE2' ' A' ' 79' ' ' LYS . 57.9 tp -82.3 108.2 15.56 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.663 -0.866 . . . . 0.83 108.663 175.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.493 HG11 ' SG ' ' A' ' 48' ' ' CYS . 58.7 t -103.37 137.13 32.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 116.189 -0.459 . . . . 0.21 111.259 -173.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.8 m -101.31 110.27 22.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.548 -0.538 . . . . 0.35 109.548 174.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.456 ' HE2' ' HB2' ' A' ' 80' ' ' TYR . 98.7 m-85 -81.95 -177.31 6.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.366 -0.379 . . . . 0.3 111.142 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.3 -31.04 70.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.3 0.572 . . . . 2.31 110.681 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.515 ' HB2' ' HB3' ' B' ' 36' ' ' M3L . 29.9 t70 -77.36 0.73 21.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.426 -0.806 . . . . 1.84 110.57 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.3 t30 71.83 5.51 5.38 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.64 -0.709 . . . . 1.95 110.437 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.46 137.9 36.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.699 -0.682 . . . . 1.36 110.501 178.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 72' ' ' VAL . 45.6 mtpt -103.08 131.86 49.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.575 -0.739 . . . . 1.63 110.01 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.456 ' HB2' ' HE2' ' A' ' 74' ' ' PHE . 73.6 m-85 -142.39 145.27 33.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.689 -0.232 . . . . 0.76 110.601 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -84.41 109.46 17.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.211 -0.449 . . . . 0.31 110.491 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.424 ' HB ' HD11 ' A' ' 87' ' ' ILE . 21.0 t -107.91 137.07 41.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.389 -0.597 . . . . 0.44 109.389 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 69' ' ' SER . 95.5 mt -68.92 150.43 47.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.524 0.202 . . . . 1.02 110.733 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.572 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 51.5 m0 -56.18 -35.68 67.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 0.48 110.696 178.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -65.16 -16.39 63.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.841 -0.618 . . . . 2.93 111.859 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.507 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 36.4 m-20 -110.79 5.47 20.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.859 0.361 . . . . 0.48 110.819 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.427 HG23 ' HB ' ' A' ' 46' ' ' VAL . 66.5 mt -111.68 116.77 53.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.217 -0.447 . . . . 0.33 110.682 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -121.97 132.17 54.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.896 -0.593 . . . . 2.19 109.962 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 38' ' ' SER . 67.3 m80 -58.47 135.52 57.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.989 0.366 . . . . 1.33 111.989 -174.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.7 154.05 19.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.57 110.129 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.97 11.71 64.78 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.833 -0.699 . . . . 1.51 112.049 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.495 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 27.8 m -136.22 161.67 60.96 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 109.986 -0.376 . . . . 2.16 109.986 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.495 ' HD2' ' HB ' ' A' ' 92' ' ' VAL . 28.1 Cg_endo -63.65 -18.07 62.64 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.759 2.306 . . . . 2.82 112.294 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 93.41 -54.76 2.41 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.857 -0.687 . . . . 3.95 112.279 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 C--O 1.247 0.967 0 N-CA-C 109.146 -0.687 . . . . 5.9 109.146 179.281 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.567 0.223 . . . . 9.65 111.08 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 10.0 t -74.74 129.98 38.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.277 0.56 . . . . 8.7 111.136 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.64 -142.47 6.98 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 115.566 -0.743 . . . . 6.09 111.257 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.23 157.48 44.73 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.708 -0.758 . . . . 3.6 111.841 177.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.5 125.12 25.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.613 0.244 . . . . 2.89 110.557 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' M3L . . . . . 0.515 ' HB3' ' HB2' ' A' ' 76' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.058 -0.519 . . . . 1.79 109.668 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.472 ' HE2' ' HB2' ' B' ' 37' ' ' LYS . 0.5 OUTLIER -122.53 152.88 62.22 Favored Pre-proline 0 C--N 1.323 -0.578 0 C-N-CA 120.874 -0.33 . . . . 3.05 110.354 -178.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.93 136.52 61.91 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.262 1.975 . . . . 1.23 110.272 170.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.483 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 38.6 t60 -80.21 -19.5 46.85 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.899 -0.321 . . . . 2.4 110.815 -174.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' B' ' 39' ' ' HIS . 10.7 mpt_? 71.31 153.74 0.13 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.67 0.606 . . . . 4.75 110.559 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 41.0 t80 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.344 -0.836 . . . . 3.33 109.513 -178.609 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 110.276 -0.268 . . . . 2.19 110.276 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -77.13 115.7 17.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.793 0.33 . . . . 3.92 110.113 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.43 135.43 49.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.133 0.492 . . . . 1.49 111.144 -176.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.55 ' HB ' ' CD ' ' A' ' 44' ' ' GLN . 40.4 m -134.83 144.33 47.53 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.526 -0.761 . . . . 0.49 109.424 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.541 ' HG2' HG23 ' A' ' 63' ' ' VAL . 30.6 mt-10 -70.24 134.52 48.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.944 0.402 . . . . 1.1 110.557 -177.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.8 -3.66 60.9 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.95 -0.643 . . . . 0.46 112.262 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.55 ' CD ' ' HB ' ' A' ' 41' ' ' THR . 15.5 mt-30 -95.19 151.23 19.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.622 0.249 . . . . 1.09 110.398 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -90.44 137.32 32.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.896 -0.409 . . . . 0.96 109.896 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 60' ' ' ILE . 16.1 m -139.85 163.16 25.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.264 0.554 . . . . 0.21 111.377 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.553 HD22 ' CE1' ' B' ' 39' ' ' HIS . 26.7 mt -102.39 111.09 23.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.446 -0.946 . . . . 0.54 108.446 176.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.456 ' SG ' HG11 ' A' ' 72' ' ' VAL . 59.1 m -98.89 123.21 43.01 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.874 0.369 . . . . 0.87 110.803 -175.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 60.2 ttt180 -89.32 110.85 21.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.964 -0.562 . . . . 2.76 110.074 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -82.37 178.26 8.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.069 -0.514 . . . . 0.88 110.079 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 t -63.22 -15.62 57.59 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.012 0.434 . . . . 1.69 111.675 -175.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -76.46 -8.13 56.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.053 0.454 . . . . 1.91 110.664 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.2 -2.3 86.72 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.954 -0.566 . . . . 0.62 112.134 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.53 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 89.4 mt -95.31 160.94 14.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.717 0.294 . . . . 0.63 110.816 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.454 ' CE2' ' HB2' ' A' ' 49' ' ' ARG . 43.8 m-85 -105.39 139.07 40.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.101 -0.5 . . . . 0.55 110.708 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -127.35 145.54 50.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.515 -0.766 . . . . 0.55 109.55 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -82.85 132.94 35.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.872 0.367 . . . . 0.84 110.923 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.81 168.64 33.92 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.956 -0.64 . . . . 0.2 112.02 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -112.09 128.04 56.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.45 0.167 . . . . 0.91 110.802 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.47 HD11 HG11 ' A' ' 46' ' ' VAL . 64.4 mt -64.77 120.75 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.33 110.249 178.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 14.1 tppt? -97.98 -43.81 6.92 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.139 -0.482 . . . . 1.08 110.367 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.491 ' HA ' ' OE2' ' A' ' 42' ' ' GLU . 65.6 ttt180 -145.93 133.67 21.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.235 -0.438 . . . . 3.23 110.737 -178.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.541 HG23 ' HG2' ' A' ' 42' ' ' GLU . 75.4 t -100.72 124.38 54.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.636 -0.257 . . . . 1.07 110.898 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.1 t -106.23 102.6 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.489 -0.56 . . . . 1.26 109.489 175.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 84' ' ' TRP . 17.2 m -73.24 -28.79 62.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.788 -0.642 . . . . 1.26 110.975 -176.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 p -73.38 -41.21 63.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.987 -0.552 . . . . 1.25 111.642 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -91.9 -6.21 51.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.65 -0.25 . . . . 2.3 111.564 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 61.0 35.65 18.9 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.986 0.422 . . . . 1.67 110.854 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.7 p -136.21 160.05 39.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.975 -0.557 . . . . 1.23 110.833 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.404 ' SG ' HG22 ' A' ' 63' ' ' VAL . 93.9 m -128.67 138.1 51.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.078 -0.51 . . . . 1.05 110.366 176.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' ' 79' ' ' LYS . 61.9 tp -79.62 108.78 13.43 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.416 -0.957 . . . . 0.83 108.416 173.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.456 HG11 ' SG ' ' A' ' 48' ' ' CYS . 58.2 t -108.53 137.74 38.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 116.161 -0.472 . . . . 0.21 110.551 -174.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.3 m -103.01 108.7 19.97 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.657 -0.497 . . . . 0.35 109.657 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.418 ' CE2' ' HD2' ' A' ' 80' ' ' TYR . 98.5 m-85 -74.99 176.29 7.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.274 -0.421 . . . . 0.3 111.178 -177.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.2 -22.13 66.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 2.31 111.788 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.465 ' HB2' ' HB3' ' B' ' 36' ' ' M3L . 31.0 t70 -86.89 6.13 33.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.96 0.41 . . . . 1.84 110.29 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 69.11 19.69 7.91 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.142 0.972 . . . . 1.95 109.492 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -80.51 133.03 35.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.15 -0.932 . . . . 1.36 109.75 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.467 ' HB3' HD11 ' A' ' 71' ' ' LEU . 53.3 mtpt -108.77 130.32 55.38 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.11 -0.33 . . . . 1.63 110.11 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.418 ' HD2' ' CE2' ' A' ' 74' ' ' PHE . 80.0 m-85 -147.1 156.59 43.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.76 110.628 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -97.85 108.72 21.49 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.686 -0.487 . . . . 0.31 109.686 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.412 ' HB ' HD11 ' A' ' 87' ' ' ILE . 15.3 t -105.42 136.43 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.396 -0.366 . . . . 0.44 110.106 -178.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.58 143.26 57.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.303 -0.408 . . . . 1.02 110.696 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 65' ' ' SER . 50.4 m0 -55.92 -34.58 65.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.48 111.589 -177.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -61.7 -28.4 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 2.93 111.573 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -101.22 3.46 40.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.39 -0.368 . . . . 0.48 111.124 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.412 HD11 ' HB ' ' A' ' 82' ' ' VAL . 71.8 mt -102.38 119.73 51.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.262 0.553 . . . . 0.33 110.829 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -110.36 165.72 11.55 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.3 -1.0 . . . . 2.19 108.3 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.531 ' O ' HG22 ' A' ' 92' ' ' VAL . 38.1 m80 -80.03 147.82 31.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.302 0.501 . . . . 1.33 110.407 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.38 127.81 32.56 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.948 -0.301 . . . . 0.57 110.757 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.28 16.39 47.09 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.695 -0.765 . . . . 1.51 113.009 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 89' ' ' HIS . 20.2 m -107.03 135.24 19.6 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.865 0.332 . . . . 2.16 110.375 177.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.61 -44.11 4.8 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.607 2.205 . . . . 2.82 112.771 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.2 88.05 0.12 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.578 -0.82 . . . . 3.95 112.28 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 119.154 -0.45 . . . . 5.9 110.639 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.84 0.352 . . . . 9.65 110.547 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 7.7 m -72.76 -28.8 62.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.122 -0.49 . . . . 8.7 110.642 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.56 -145.74 4.77 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 121.014 -0.612 . . . . 6.09 111.795 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.85 -157.49 29.75 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.05 -0.595 . . . . 3.6 111.895 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.07 117.4 53.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.814 0.34 . . . . 2.89 110.637 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' M3L . . . . . 0.465 ' HB3' ' HB2' ' A' ' 76' ' ' ASP . . . . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.178 0.513 . . . . 1.79 109.9 177.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -134.72 150.86 74.65 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 115.803 -0.635 . . . . 3.05 109.944 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -70.13 141.07 42.77 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.233 1.955 . . . . 1.23 111.717 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.553 ' CE1' HD22 ' A' ' 47' ' ' LEU . 42.4 p-80 -96.8 9.2 42.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.983 -0.553 . . . . 2.4 110.374 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.69 97.52 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.42 -0.809 . . . . 4.75 111.094 -177.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 29.3 t80 . . . . . 0 C--O 1.244 0.78 0 CA-C-N 116.067 -0.515 . . . . 3.33 109.773 177.863 . . . . . . . . 0 0 . 1 stop_ save_