data_6lkf_residue ############################ # Computer software used # ############################ 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 6lkf _Structure_validation_residue.Date_analyzed 2020-06-05 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 ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.74 0.305 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.36 -43.87 98.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.496 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -64.4 -40.5 95.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.52 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.03 98.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.466 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.04 -41.2 97.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.201 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' HG2' HD13 ' A' ' 89' ' ' LEU . 98.5 mt-10 -63.82 -39.12 93.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.45 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 ttp -60.28 -45.93 91.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.772 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.43 -41.97 98.02 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.248 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.525 ' HD2' ' C ' ' A' ' 32' ' ' ARG . 8.2 tmm_? -63.15 -43.0 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.024 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 91' ' ' PHE . 63.0 tp -61.7 -44.11 97.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.817 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.13 -42.11 97.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.467 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -60.62 -43.55 97.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.521 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.15 -40.35 93.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.719 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.652 ' CZ ' ' CB ' ' A' ' 52' ' ' ALA . 31.2 m-85 -66.09 -36.78 84.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.798 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.45 -40.91 92.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.519 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -96.44 6.93 47.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.686 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.535 ' CD1' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -95.84 99.79 11.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 0.0 110.709 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.7 t0 -66.87 132.63 48.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.787 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.553 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 86.63 8.35 77.11 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.67 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.577 ' CE2' ' HD3' ' A' ' 54' ' ' LYS . 95.5 m95 -116.95 139.49 50.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.813 0.339 . . . . 0.0 110.248 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 67.3 m-85 -135.08 147.89 49.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.973 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.587 HD13 ' CD1' ' A' ' 37' ' ' PHE . 94.0 mt -120.36 139.8 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.655 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -120.38 128.68 53.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.355 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.5 p -66.42 -36.63 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.761 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.05 -45.42 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.851 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.624 ' O ' ' C ' ' A' ' 50' ' ' ASP . 23.2 pttp -117.14 39.48 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.771 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.624 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.4 t0 -3.3 74.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.62 0.575 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 49' ' ' LYS . 94.0 p -153.18 163.53 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.711 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.652 ' CB ' ' CZ ' ' A' ' 37' ' ' PHE . . . -125.01 149.45 47.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.728 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.2 p90 -149.81 160.72 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.654 ' CE ' ' CZ ' ' A' ' 56' ' ' PHE . 26.3 ttpt -133.21 129.85 38.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.053 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.559 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 59.5 p30 -106.1 138.57 42.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.965 0.412 . . . . 0.0 111.025 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.654 ' CZ ' ' CE ' ' A' ' 54' ' ' LYS . 90.0 m-85 -102.31 -0.65 32.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.252 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.36 -9.8 76.35 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 99.4 mttt -114.62 -28.75 7.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 110.44 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.64 ' CE2' ' CD2' ' A' ' 111' ' ' LEU . 53.2 p90 -155.0 161.27 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.527 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.511 ' O ' HD12 ' A' ' 81' ' ' ILE . 88.8 tt0 -112.15 128.9 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.946 0.403 . . . . 0.0 111.158 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.58 HG21 ' CE1' ' A' ' 59' ' ' TYR . 48.1 pt -129.0 138.44 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.841 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.488 HH21 ' CB ' ' A' ' 51' ' ' SER . 17.2 ptm180 -133.73 153.87 51.38 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.999 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.526 ' HG ' ' CG2' ' A' ' 84' ' ' ILE . 11.1 mp -115.25 151.71 34.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.883 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.2 p -143.14 161.85 37.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.939 0.399 . . . . 0.0 110.899 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.51 ' ND2' ' HE3' ' A' ' 88' ' ' LYS . 10.6 t-20 -61.05 -164.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.956 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -61.14 -24.31 66.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.432 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 C--N 1.33 -0.279 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.063 179.517 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 1.8 mpt_? -118.35 160.22 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.606 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.582 ' CD1' ' O ' ' A' ' 115' ' ' ARG . 0.3 OUTLIER -56.07 151.23 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.105 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 60' ' ' GLU . 10.8 tp -125.43 140.85 47.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.977 0.417 . . . . 0.0 110.592 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.609 ' CG2' ' CD1' ' A' ' 117' ' ' ILE . 60.4 t -121.02 125.66 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.483 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.536 ' HB2' ' OD1' ' A' ' 118' ' ' ASN . 98.5 m-20 -99.91 117.11 33.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.526 ' CG2' ' HG ' ' A' ' 63' ' ' LEU . 83.4 mt -117.76 127.11 75.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.084 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -112.23 128.61 56.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.202 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -160.18 152.67 20.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.0 m -71.62 149.35 45.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.247 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.51 ' HE3' ' ND2' ' A' ' 65' ' ' ASN . 98.3 mttt -62.1 -39.93 94.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.47 HD11 ' NH2' ' A' ' 32' ' ' ARG . 62.3 tp -62.43 -42.22 99.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.404 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -99.55 15.54 26.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.565 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.638 ' CE2' ' CZ ' ' A' ' 37' ' ' PHE . 91.3 t80 -58.33 -48.43 80.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.621 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 95' ' ' ILE . 56.3 t -61.34 -42.83 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.114 0.483 . . . . 0.0 110.181 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.29 -40.83 97.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.297 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 4.1 tp -64.32 -35.91 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 92' ' ' VAL . 21.2 pt -76.94 -29.17 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.927 -178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 78.4 mm-40 -63.04 -43.58 98.26 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.54 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.7 m-20 -91.35 -34.76 14.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.817 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.601 ' CE ' ' CB ' ' A' ' 119' ' ' ALA . 28.9 tptp -64.06 -44.46 92.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.264 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 95' ' ' ILE . 2.3 mp -61.31 -41.65 97.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.754 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.73 -39.77 92.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.571 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 48.6 mmtm -63.28 -39.36 94.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.006 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.582 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -73.24 -41.13 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.48 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.5 mm -62.0 -46.45 96.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.69 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.37 -43.3 91.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.987 0.422 . . . . 0.0 110.578 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.5 mtpt -63.39 -40.77 98.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.131 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.561 HG21 ' N ' ' A' ' 107' ' ' ASP . 18.3 tt -67.71 -31.0 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.706 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.561 ' N ' HG21 ' A' ' 106' ' ' ILE . 67.6 t0 -62.16 -47.22 85.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.982 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -73.33 -39.3 65.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.152 0.501 . . . . 0.0 110.207 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.583 ' CD1' ' OH ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -157.14 142.56 17.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.433 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.45 142.79 58.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.653 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.64 ' CD2' ' CE2' ' A' ' 59' ' ' TYR . 1.4 pp -76.44 -11.76 59.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.351 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 113' ' ' LYS . 59.9 p30 -71.71 -13.22 61.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.551 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.411 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 98.3 mttt -64.71 -38.65 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.214 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.583 ' OH ' ' CD1' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -84.46 126.7 33.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.193 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.594 ' HG2' ' CE1' ' A' ' 116' ' ' PHE . 60.6 ttt85 -62.77 -44.92 94.94 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.266 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.594 ' CE1' ' HG2' ' A' ' 115' ' ' ARG . 98.2 m-85 -129.87 126.11 37.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.609 ' CD1' ' CG2' ' A' ' 82' ' ' VAL . 37.8 pt -129.9 150.65 34.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.536 ' OD1' ' HB2' ' A' ' 83' ' ' ASN . 44.2 t30 -148.8 137.41 21.25 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.707 -178.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.601 ' CB ' ' CE ' ' A' ' 98' ' ' LYS . . . -109.94 150.2 28.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.648 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.589 ' OG1' ' ND1' ' A' ' 124' ' ' HIS . 57.9 p -127.02 161.51 28.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -42.75 151.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 123' ' ' GLU . 2.4 pp -46.51 -42.0 14.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.914 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.6 ' N ' ' CD1' ' A' ' 122' ' ' LEU . 88.7 tt0 -66.17 -36.26 82.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.08 0.467 . . . . 0.0 109.826 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.589 ' ND1' ' OG1' ' A' ' 120' ' ' THR . 62.8 t-80 -76.97 164.47 25.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.199 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.516 ' N ' ' ND1' ' A' ' 124' ' ' HIS . 98.3 m-20 -97.51 151.08 20.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.876 0.37 . . . . 0.0 110.367 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 118' ' ' ASN . 15.7 tt -115.13 141.94 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.836 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.503 ' HB2' ' CE ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -150.8 154.24 36.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.546 ' SG ' HG23 ' A' ' 117' ' ' ILE . 71.8 m -129.66 152.31 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.56 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.485 ' O ' ' HB3' ' A' ' 114' ' ' TYR . 98.4 m-85 -117.86 137.12 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.267 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.593 ' CE1' ' HG3' ' A' ' 136' ' ' LYS . 52.4 m-85 -63.82 -40.13 95.89 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.118 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.474 ' HD2' ' C ' ' A' ' 130' ' ' TYR . 14.7 mptt -117.36 7.21 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.978 0.418 . . . . 0.0 110.397 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.465 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.55 -13.53 66.35 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.523 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 86.9 t80 -162.5 116.23 1.75 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.534 ' HG2' ' N ' ' A' ' 135' ' ' THR . 65.2 tttp 174.02 164.47 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.199 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.534 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 82.2 p -69.05 -17.88 63.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 130' ' ' TYR . 60.1 tptt -94.64 117.68 30.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.105 0.479 . . . . 0.0 110.808 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.503 ' CE ' ' HB2' ' A' ' 127' ' ' LYS . 22.2 ptmt -150.72 158.99 44.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.38 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 127' ' ' LYS . 79.4 mm-40 -113.26 141.89 46.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.579 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.506 ' O ' HD13 ' A' ' 140' ' ' ILE . 11.3 p -138.5 141.62 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 139' ' ' VAL . 25.1 mm . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.494 HH21 ' CB ' ' A' ' 27' ' ' ALA . 7.6 tpm_? . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.846 0.355 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -59.99 -42.31 93.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -62.57 -41.05 98.69 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.222 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.494 ' CB ' HH21 ' A' ' 24' ' ' ARG . . . -62.46 -40.69 97.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -62.36 -41.18 98.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.414 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.576 ' CB ' ' NZ ' ' A' ' 88' ' ' LYS . 78.3 mm-40 -62.87 -39.26 93.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.576 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.472 ' SD ' ' HD2' ' A' ' 88' ' ' LYS . 96.1 mmm -61.97 -41.44 98.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.5 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.3 -41.71 98.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.948 0.404 . . . . 0.0 109.952 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.438 HH12 HG12 ' A' ' 92' ' ' VAL . 79.1 ttt-85 -63.49 -42.12 98.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.26 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 91' ' ' PHE . 62.2 tp -60.93 -44.41 97.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.393 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.79 -40.77 96.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.301 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -60.38 -41.87 94.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.711 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -60.48 -41.06 93.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.68 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CD2' HD12 ' A' ' 45' ' ' LEU . 40.4 m-85 -67.62 -34.8 77.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.841 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.1 -41.08 91.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.225 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -93.92 3.24 55.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.398 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 1.1 mm? -103.08 93.74 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.74 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.491 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 98.8 m-20 -63.89 140.0 58.83 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.197 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 82.3 4.62 90.12 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.642 ' CH2' ' CG2' ' A' ' 95' ' ' ILE . 68.3 m95 -117.95 126.14 51.78 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 80.8 m-85 -139.49 148.85 43.24 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.61 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.59 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -127.86 151.43 49.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.115 179.281 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.8 p -120.09 131.44 55.07 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.567 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -64.02 -43.31 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.462 ' HE2' ' HG3' ' A' ' 49' ' ' LYS . 67.5 ttp -60.5 -45.79 92.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.343 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.626 ' O ' ' C ' ' A' ' 50' ' ' ASP . 99.7 mttt -113.25 38.4 2.88 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.007 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 66.9 t0 -2.24 72.83 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.597 0.561 . . . . 0.0 111.197 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.1 t -149.1 148.94 30.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.431 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.96 141.96 40.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 51.9 p90 -146.55 160.12 42.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.605 ' HE2' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -145.48 149.42 34.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.893 0.378 . . . . 0.0 110.853 -179.735 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -115.06 110.38 19.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.267 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.582 ' CE1' ' HG3' ' A' ' 54' ' ' LYS . 96.8 m-85 -89.82 -7.8 53.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.331 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.6 -9.71 76.82 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -115.16 -36.22 4.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.939 0.4 . . . . 0.0 110.493 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.593 ' CE1' HG21 ' A' ' 61' ' ' ILE . 52.3 p90 -156.84 161.18 39.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.437 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -108.61 129.56 55.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.942 0.401 . . . . 0.0 111.076 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.593 HG21 ' CE1' ' A' ' 59' ' ' TYR . 45.9 pt -126.23 138.92 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.84 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 83' ' ' ASN . 41.3 ptt180 -122.35 152.3 40.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.951 0.405 . . . . 0.0 110.895 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.586 ' CD2' ' CE1' ' A' ' 91' ' ' PHE . 1.1 tt -110.08 131.33 55.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.921 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.559 ' OG ' ' O ' ' A' ' 67' ' ' SER . 47.1 t -146.82 152.21 38.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.528 ' O ' ' O ' ' A' ' 64' ' ' SER . 52.3 t30 -55.4 -144.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.766 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.47 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 31.0 p80 -58.2 -28.29 64.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.711 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.559 ' O ' ' OG ' ' A' ' 64' ' ' SER . 91.8 p . . . . . 0 C--N 1.328 -0.334 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.266 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.449 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.591 ' NH2' ' OD2' ' A' ' 112' ' ' ASP . 30.9 mmm180 -130.14 157.98 40.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.321 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.602 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 2.6 mm? -56.41 141.54 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.764 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.0 mt -116.95 124.36 72.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.667 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.458 HG12 HG22 ' A' ' 117' ' ' ILE . 89.4 t -122.63 127.24 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.229 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.522 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 53.4 p30 -113.88 153.08 29.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.562 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.529 ' CG2' ' HG2' ' A' ' 98' ' ' LYS . 89.6 mt -124.66 128.27 73.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.74 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 64' ' ' SER . 58.4 mtmt -101.77 120.32 40.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.34 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.533 ' CB ' ' HB ' ' A' ' 94' ' ' ILE . . . -158.9 155.75 28.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.1 p -71.35 161.31 31.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.576 ' NZ ' ' CB ' ' A' ' 29' ' ' GLU . 29.4 ttpp -60.86 -42.97 98.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.592 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.519 ' CD2' ' OD1' ' A' ' 90' ' ' ASN . 9.9 tt -62.69 -42.8 99.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.34 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.519 ' OD1' ' CD2' ' A' ' 89' ' ' LEU . 98.6 m-20 -101.07 16.43 25.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.324 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CE1' ' CD2' ' A' ' 63' ' ' LEU . 78.1 t80 -58.26 -49.46 77.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.594 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.508 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 9.8 p -70.34 -33.61 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.962 0.411 . . . . 0.0 109.997 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -61.81 -42.22 98.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.61 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.533 ' HB ' ' CB ' ' A' ' 86' ' ' ALA . 4.3 tp -60.04 -29.72 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.038 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.642 ' CG2' ' CH2' ' A' ' 43' ' ' TRP . 88.0 mt -60.76 -46.45 96.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.263 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.548 ' OE2' ' OD2' ' A' ' 100' ' ' ASP . 15.8 tm-20 -63.82 -46.47 84.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.808 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.591 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 99.0 m-20 -70.52 -41.74 72.19 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.529 ' HG2' ' CG2' ' A' ' 84' ' ' ILE . 14.0 mptt -74.16 -41.25 61.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.308 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.584 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 0.6 OUTLIER -61.42 -42.59 98.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.076 0.465 . . . . 0.0 109.946 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.548 ' OD2' ' OE2' ' A' ' 96' ' ' GLU . 98.9 m-20 -63.5 -39.26 93.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.6 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 33.6 mmtp -64.75 -39.53 93.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.71 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.584 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 43.1 pt -73.15 -36.07 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.886 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 99' ' ' LEU . 28.4 mm -62.13 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.091 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.06 -42.18 98.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.331 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.589 ' NZ ' ' CD ' ' A' ' 138' ' ' GLU . 17.9 tppt? -60.43 -45.21 94.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.159 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.528 ' CG1' ' HG ' ' A' ' 111' ' ' LEU . 78.5 mt -61.58 -44.25 98.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.495 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.69 -39.84 89.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.332 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.512 ' C ' HD23 ' A' ' 109' ' ' LEU . 75.5 mmtt -84.26 -34.04 23.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.038 0.447 . . . . 0.0 109.904 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.589 HD13 ' CE1' ' A' ' 114' ' ' TYR . 1.0 OUTLIER -157.19 138.64 13.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.21 179.607 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.72 140.46 58.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.858 0.361 . . . . 0.0 111.01 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 59' ' ' TYR . 95.4 mt -70.15 -22.63 62.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.945 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.591 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 98.5 m-20 -61.35 -22.61 65.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.403 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -64.04 -39.48 94.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.172 0.511 . . . . 0.0 109.983 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.602 ' O ' ' CG ' ' A' ' 80' ' ' LEU . 83.4 m-85 -77.91 151.96 33.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.107 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.569 ' HB2' ' N ' ' A' ' 132' ' ' GLY . 41.6 mmt180 -105.62 -25.86 12.09 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.75 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.479 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 90.4 t80 -144.81 127.08 15.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.954 0.407 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.608 HG13 ' SG ' ' A' ' 128' ' ' CYS . 1.2 mp -131.09 135.45 59.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.44 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.526 ' O ' HG13 ' A' ' 126' ' ' ILE . 65.4 t30 -135.14 110.74 9.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.976 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 83' ' ' ASN . . . -84.04 149.36 26.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.49 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.563 ' O ' ' O ' ' A' ' 121' ' ' ASN . 70.7 p -129.21 161.32 30.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.593 ' ND2' ' OE1' ' A' ' 123' ' ' GLU . 54.0 t30 -41.95 174.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.599 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.494 ' CD2' HD21 ' A' ' 97' ' ' ASN . 88.3 mt -61.24 -40.24 93.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.766 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.593 ' OE1' ' ND2' ' A' ' 121' ' ' ASN . 60.3 mp0 -66.47 -34.73 78.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 109.882 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.536 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 64.3 m170 -88.28 154.18 20.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.526 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.414 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.1 m-20 -99.43 164.39 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.586 ' O ' ' CG2' ' A' ' 139' ' ' VAL . 20.7 tt -109.67 141.3 25.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.771 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.535 ' HB2' ' CE ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -129.49 152.94 48.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.098 0.475 . . . . 0.0 111.342 -179.144 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.608 ' SG ' HG13 ' A' ' 117' ' ' ILE . 84.2 m -123.82 148.16 46.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.26 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.411 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.7 m-85 -117.25 134.7 54.49 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' A' ' 115' ' ' ARG . 83.5 m-85 -64.05 -41.33 97.43 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.121 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.423 ' C ' ' HB2' ' A' ' 115' ' ' ARG . 75.5 mmtt -111.99 5.21 18.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.423 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.569 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 91.93 -14.37 64.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.529 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 84.2 t80 -162.4 115.37 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 39.4 ttmt 174.58 164.89 0.24 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.888 0.375 . . . . 0.0 110.591 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.514 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 96.1 m -66.52 -40.08 88.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.143 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.471 ' O ' ' HD1' ' A' ' 130' ' ' TYR . 75.6 mmtt -75.73 118.88 19.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.302 0.572 . . . . 0.0 111.114 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.535 ' CE ' ' HB2' ' A' ' 127' ' ' LYS . 22.0 ptmt -151.35 158.42 43.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.152 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.589 ' CD ' ' NZ ' ' A' ' 105' ' ' LYS . 88.6 tt0 -120.3 131.37 54.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 0.0 110.446 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.586 ' CG2' ' O ' ' A' ' 126' ' ' ILE . 8.0 p -131.51 140.83 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.688 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.439 ' N ' HG23 ' A' ' 139' ' ' VAL . 86.8 mt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.584 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 . . . . . 0 C--O 1.232 0.141 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -64.54 -41.44 96.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.159 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.486 ' CE1' ' NZ ' ' A' ' 88' ' ' LYS . 89.6 t80 -59.89 -48.4 81.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.503 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.4 94.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.521 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -62.2 -41.66 98.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.556 ' OE2' ' O ' ' A' ' 88' ' ' LYS . 54.1 tp10 -61.97 -41.97 98.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.563 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.597 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 28.1 ttt -60.5 -44.79 95.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.573 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.517 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 98.5 m-20 -60.85 -38.48 85.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.507 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.59 ' NH1' ' CD1' ' A' ' 89' ' ' LEU . 79.8 ttt180 -59.84 -37.16 78.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.765 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.93 -39.21 84.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.334 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.597 ' OE1' ' O ' ' A' ' 30' ' ' MET . 53.3 mp0 -61.9 -39.94 93.72 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.104 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 18.1 tppt? -60.97 -44.2 97.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.27 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.53 -39.15 89.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.525 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 76.7 t80 -57.99 -47.13 83.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.464 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.94 -39.26 81.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.776 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.23 8.18 43.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.191 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 1.7 mm? -113.03 86.82 2.45 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.911 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.565 ' OD1' ' O ' ' A' ' 41' ' ' ASP . 59.4 p30 -67.9 141.05 56.51 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.22 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.45 6.99 88.8 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.651 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.591 ' CE2' ' HB2' ' A' ' 54' ' ' LYS . 99.7 m95 -118.4 140.75 49.37 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.692 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.655 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 79.8 m-85 -136.96 147.27 46.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.098 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 51' ' ' SER . 88.2 mt -116.87 141.88 47.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 68.9 m -115.68 129.03 56.33 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.368 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 t -65.91 -42.96 89.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.53 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.3 ptp -61.25 -29.7 70.0 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.959 0.409 . . . . 0.0 110.599 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.613 ' O ' ' C ' ' A' ' 50' ' ' ASP . 26.0 pttm -140.25 54.46 1.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.363 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.613 ' C ' ' O ' ' A' ' 49' ' ' LYS . 38.9 t0 -17.81 86.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.986 0.422 . . . . 0.0 110.263 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.5 t -148.39 147.07 28.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.947 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.508 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -112.42 144.33 42.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.233 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.655 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.1 p90 -148.97 160.49 43.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.989 0.423 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.591 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 87.3 tttt -131.5 133.83 45.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.873 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -107.35 128.75 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.69 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CZ ' ' HE2' ' A' ' 54' ' ' LYS . 27.4 m-85 -104.5 -14.11 15.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.58 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.99 -9.71 77.08 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 14.4 mptt -115.39 -31.92 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 0.0 110.162 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.576 ' CD1' HG23 ' A' ' 61' ' ' ILE . 51.8 p90 -152.51 159.85 43.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.331 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.544 ' HB2' ' NE ' ' A' ' 79' ' ' ARG . 88.9 tt0 -103.41 128.89 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.107 0.48 . . . . 0.0 111.458 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.576 HG23 ' CD1' ' A' ' 59' ' ' TYR . 44.1 pt -126.81 135.18 64.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.784 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.509 HH12 ' CG2' ' A' ' 81' ' ' ILE . 9.9 ptp85 -142.32 157.53 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.49 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.613 ' CB ' ' CE1' ' A' ' 91' ' ' PHE . 3.5 mp -119.73 144.47 47.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.902 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.1 p -147.87 163.75 35.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.008 0.432 . . . . 0.0 110.904 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.543 ' ND2' ' ND1' ' A' ' 66' ' ' HIS . 48.7 t30 -57.82 -161.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.607 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.543 ' ND1' ' ND2' ' A' ' 65' ' ' ASN . 53.3 p-80 -62.48 -19.91 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.617 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.355 179.821 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.535 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.544 ' NE ' ' HB2' ' A' ' 60' ' ' GLU . 41.5 ptt180 -134.99 161.17 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.755 0.312 . . . . 0.0 110.474 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.576 ' CD2' ' O ' ' A' ' 114' ' ' TYR . 3.9 mm? -59.58 143.93 48.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.509 ' CG2' HH12 ' A' ' 62' ' ' ARG . 50.9 mm -116.8 126.54 74.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.49 ' CG1' HG22 ' A' ' 117' ' ' ILE . 78.0 t -118.42 124.33 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.759 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -106.75 112.04 24.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.389 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 87.5 mt -106.09 125.31 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.942 0.401 . . . . 0.0 110.738 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -103.14 131.77 49.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.275 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.464 ' CB ' HG21 ' A' ' 94' ' ' ILE . . . -155.11 153.67 31.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.729 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 91' ' ' PHE . 69.8 m -68.83 149.72 48.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.36 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.556 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 62.2 mtpt -61.7 -40.4 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.546 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.595 ' CD1' ' O ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -64.56 -42.25 95.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.62 18.43 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.302 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.613 ' CE1' ' CB ' ' A' ' 63' ' ' LEU . 93.1 t80 -58.32 -49.04 78.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.028 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.8 -37.3 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.159 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.39 -39.63 93.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.785 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.534 HG13 ' CG ' ' A' ' 98' ' ' LYS . 3.8 tp -63.29 -29.43 47.21 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.418 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.523 HG23 ' CD1' ' A' ' 99' ' ' LEU . 77.2 mt -61.57 -44.32 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.41 -47.46 86.0 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.379 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.542 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 34.7 m120 -75.18 -40.81 59.13 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.594 ' NZ ' ' O ' ' A' ' 120' ' ' THR . 74.5 mmtt -65.78 -41.76 91.63 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.966 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.523 ' CD1' HG23 ' A' ' 95' ' ' ILE . 74.8 mt -63.34 -40.22 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.326 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.56 -39.78 94.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.732 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.8 mmtt -63.54 -39.27 93.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.212 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.584 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.29 -43.18 31.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.759 -179.286 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.525 ' O ' HG21 ' A' ' 106' ' ' ILE . 34.8 mm -61.75 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.39 -43.43 94.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.993 0.425 . . . . 0.0 110.569 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.4 mtpt -63.14 -40.83 98.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.172 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 107' ' ' ASP . 18.0 tt -70.09 -30.5 44.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.662 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.556 ' N ' HG23 ' A' ' 106' ' ' ILE . 98.5 m-20 -61.77 -39.94 93.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -73.12 -38.22 66.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.153 0.501 . . . . 0.0 109.848 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.589 HD11 ' CE1' ' A' ' 114' ' ' TYR . 0.9 OUTLIER -156.98 149.62 23.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.691 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.41 148.87 51.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.554 HD21 ' CG ' ' A' ' 59' ' ' TYR . 8.5 mp -68.41 -7.21 29.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.289 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.516 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 98.4 m-20 -60.54 -36.19 77.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.452 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.553 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 68.4 mttm -63.78 -39.05 93.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.386 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.589 ' CE1' HD11 ' A' ' 109' ' ' LEU . 52.2 m-85 -76.08 146.11 39.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.485 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.559 ' HB2' ' N ' ' A' ' 132' ' ' GLY . 10.6 mpt_? -113.87 -33.41 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.71 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.459 ' HD2' ' CD1' ' A' ' 129' ' ' TYR . 87.3 t80 -139.23 126.55 21.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.01 0.433 . . . . 0.0 110.796 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.545 ' CD1' ' HB3' ' A' ' 114' ' ' TYR . 1.3 mp -126.87 137.31 58.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.26 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.511 ' O ' HG13 ' A' ' 126' ' ' ILE . 67.2 t30 -138.38 111.22 7.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.69 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.504 ' CB ' HG12 ' A' ' 84' ' ' ILE . . . -95.6 146.08 24.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.739 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.594 ' O ' ' NZ ' ' A' ' 98' ' ' LYS . 9.9 m -127.4 160.32 31.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.155 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 124' ' ' HIS . 32.6 m120 -38.41 150.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.459 HD12 ' HG3' ' A' ' 123' ' ' GLU . 4.0 pp -46.87 -27.9 1.4 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.734 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.459 ' HG3' HD12 ' A' ' 122' ' ' LEU . 99.0 mt-10 -66.08 -33.9 76.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.226 0.536 . . . . 0.0 109.574 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.54 ' HB2' ' CG2' ' A' ' 120' ' ' THR . 78.1 m80 -100.91 164.54 11.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.432 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.35 170.63 8.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.509 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 118' ' ' ASN . 21.2 tt -108.7 135.47 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.049 0.452 . . . . 0.0 110.217 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.428 ' HG2' ' HB ' ' A' ' 139' ' ' VAL . 60.5 mtpt -124.64 148.08 48.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.363 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 138' ' ' GLU . 31.1 p -136.45 164.51 27.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.865 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.48 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.2 m-85 -117.28 138.71 51.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.063 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.597 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 69.1 t80 -59.87 -48.75 80.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.676 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.597 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 68.8 mttm -115.78 9.79 15.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.565 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.559 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 93.82 -15.95 61.94 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.535 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 82.8 t80 -161.89 115.72 1.87 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 23.4 ttmm 173.13 163.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.452 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.507 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 12.3 t -68.32 -21.83 64.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.981 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -82.83 128.7 34.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.465 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -150.73 158.46 44.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.62 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.593 ' HB3' ' SG ' ' A' ' 128' ' ' CYS . 88.9 tt0 -126.61 129.56 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.526 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 126' ' ' ILE . 11.6 p -139.28 141.68 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.531 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.497 HD11 ' NZ ' ' A' ' 101' ' ' LYS . 13.1 tt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.606 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.521 0.2 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.7 -39.71 94.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.454 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.12 -38.71 91.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.74 95.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.475 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.45 -39.78 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.293 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.533 ' HG2' ' CD2' ' A' ' 89' ' ' LEU . 98.3 mt-10 -62.67 -39.33 93.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.403 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.0 mtt -62.35 -40.62 97.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.83 -41.24 97.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.28 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 89' ' ' LEU . 43.6 ttm180 -63.07 -42.14 99.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.28 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.83 -43.28 98.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.498 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.8 -40.3 94.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.083 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -63.09 -39.59 95.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.118 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 40' ' ' LEU . . . -61.54 -39.31 90.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.68 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.451 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 77.6 t80 -57.89 -47.48 82.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.45 -38.43 84.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.64 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.514 ' C ' HD22 ' A' ' 40' ' ' LEU . 57.8 t30 -96.27 14.61 23.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.328 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.579 ' CD2' ' O ' ' A' ' 36' ' ' ALA . 2.3 mm? -117.98 88.3 2.89 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.769 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 67.5 t0 -67.42 131.7 46.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.079 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 85.63 8.91 79.5 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.029 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.6 ' CD2' ' HB2' ' A' ' 54' ' ' LYS . 94.3 m95 -118.8 138.06 52.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.929 0.364 . . . . 0.0 110.793 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.648 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 81.6 m-85 -137.68 146.14 43.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.686 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.499 ' HA ' ' O ' ' A' ' 51' ' ' SER . 2.7 mp -120.69 142.53 49.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.496 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -120.26 129.32 54.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.679 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.586 ' OG ' ' CE ' ' A' ' 48' ' ' MET . 89.7 p -64.25 -31.18 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.669 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -62.51 -40.23 96.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.694 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.62 ' O ' ' C ' ' A' ' 50' ' ' ASP . 15.2 ptpt -122.41 39.42 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.604 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.62 ' C ' ' O ' ' A' ' 49' ' ' LYS . 68.1 t0 0.56 69.55 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.44 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 49' ' ' LYS . 97.4 p -154.81 164.19 39.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.665 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -121.49 150.89 40.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.156 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.648 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.1 p90 -145.9 159.76 42.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.187 0.517 . . . . 0.0 111.251 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.6 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 87.3 tttt -133.06 130.86 39.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.457 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 67.0 t0 -109.7 106.22 15.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.673 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.597 ' CZ ' ' NZ ' ' A' ' 54' ' ' LYS . 34.3 m-85 -78.31 -14.56 59.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.272 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 92.99 -9.55 75.13 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' C ' ' NH2' ' A' ' 79' ' ' ARG . 2.1 mptp? -114.07 -30.62 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.037 0.446 . . . . 0.0 110.041 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.617 ' N ' ' NH2' ' A' ' 79' ' ' ARG . 51.0 p90 -153.08 158.45 41.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.549 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.579 ' OE2' ' NH2' ' A' ' 62' ' ' ARG . 88.8 tt0 -99.9 130.0 46.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.112 0.482 . . . . 0.0 111.397 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 59' ' ' TYR . 45.4 pt -130.11 138.21 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.038 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.579 ' NH2' ' OE2' ' A' ' 60' ' ' GLU . 10.0 ptp180 -139.83 156.65 46.62 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.464 -0.495 . . . . 0.0 111.296 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.511 ' CD1' ' HB ' ' A' ' 84' ' ' ILE . 8.1 mp -113.11 147.78 36.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.171 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.526 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 92.9 p -145.77 162.74 36.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.087 0.47 . . . . 0.0 110.892 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 66' ' ' HIS . 14.7 t-20 -69.25 -175.82 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.462 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.582 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 56.3 t-80 -58.96 -46.15 88.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.079 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.556 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.617 ' NH2' ' N ' ' A' ' 59' ' ' TYR . 9.6 ptm85 -75.62 159.18 31.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.58 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.585 ' CD2' ' O ' ' A' ' 114' ' ' TYR . 3.0 tm? -60.54 130.14 45.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.496 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.512 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 84.9 mt -115.36 124.66 72.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.542 ' CG1' HG23 ' A' ' 117' ' ' ILE . 88.1 t -118.18 124.79 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.156 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.576 ' OD1' ' CG ' ' A' ' 62' ' ' ARG . 83.6 m-20 -107.26 134.58 50.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.735 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.535 ' CG2' ' HG3' ' A' ' 98' ' ' LYS . 85.6 mt -119.78 125.59 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.391 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.582 ' CE ' ' O ' ' A' ' 66' ' ' HIS . 61.8 mtpt -98.28 131.11 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.568 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.528 ' CB ' HG12 ' A' ' 94' ' ' ILE . . . -160.09 153.19 21.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 111.164 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.3 t -67.47 146.93 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.325 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.498 ' NZ ' HD21 ' A' ' 65' ' ' ASN . 63.1 mttp -60.5 -40.19 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 110.148 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.533 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 86.9 mt -63.48 -39.42 94.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.107 0.48 . . . . 0.0 109.957 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -104.12 19.26 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.247 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 87' ' ' SER . 88.0 t80 -58.31 -48.74 79.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.811 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.515 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 7.5 p -66.42 -38.2 81.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 110.399 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.87 -39.26 93.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.555 HG21 ' N ' ' A' ' 95' ' ' ILE . 7.8 tp -61.89 -29.99 47.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.934 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.593 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -70.82 -29.47 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.795 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.565 ' N ' HG13 ' A' ' 95' ' ' ILE . 88.9 tt0 -64.04 -44.37 92.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.986 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.517 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 27.7 t-20 -85.81 -47.37 9.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.698 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.538 ' NZ ' ' O ' ' A' ' 120' ' ' THR . 73.8 mmtt -64.22 -41.28 97.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.521 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.604 ' CD2' ' CD1' ' A' ' 103' ' ' ILE . 7.5 tt -65.89 -40.75 91.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.22 0.534 . . . . 0.0 110.027 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -64.13 -40.4 96.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.584 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 73.4 mmtt -62.92 -40.06 96.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.941 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.592 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 39.8 pt -72.43 -33.28 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.604 ' CD1' ' CD2' ' A' ' 99' ' ' LEU . 88.0 mt -62.25 -46.03 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.604 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.414 ' HG2' ' HZ2' ' A' ' 108' ' ' LYS . 88.9 tt0 -64.2 -42.45 96.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.214 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.553 ' O ' HD22 ' A' ' 109' ' ' LEU . 98.1 mttt -62.39 -40.51 96.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.711 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.573 ' CD1' ' OH ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -62.9 -38.14 81.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.965 0.412 . . . . 0.0 111.002 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.9 -41.43 96.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.311 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.515 ' C ' HD12 ' A' ' 109' ' ' LEU . 63.4 mttp -72.96 -37.79 66.96 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.149 0.499 . . . . 0.0 109.839 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.627 ' CD1' ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -156.35 178.48 10.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.504 ' H ' ' NZ ' ' A' ' 113' ' ' LYS . 97.7 m-20 -103.33 143.31 32.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.481 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.469 ' CD1' HG13 ' A' ' 106' ' ' ILE . 8.5 mp -63.75 -12.24 33.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 110.167 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -59.84 -40.88 90.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.573 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.504 ' NZ ' ' H ' ' A' ' 110' ' ' ASP . 37.4 mtmm -64.42 -39.4 93.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.996 0.427 . . . . 0.0 110.66 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.585 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 92.8 m-85 -72.23 138.98 47.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.661 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.568 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 22.5 tpp180 -86.28 -44.5 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.223 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' A' ' 118' ' ' ASN . 91.5 t80 -150.87 131.35 13.81 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.178 0.513 . . . . 0.0 111.771 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.587 HG13 ' SG ' ' A' ' 128' ' ' CYS . 1.3 mp -128.24 137.96 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.299 178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 66.5 t30 -135.01 113.91 11.94 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.188 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.473 ' CB ' HG12 ' A' ' 84' ' ' ILE . . . -82.75 152.2 25.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.588 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 63.9 p -126.77 161.44 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.347 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.571 ' O ' ' O ' ' A' ' 120' ' ' THR . 26.9 m120 -39.55 171.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.743 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.53 -40.33 91.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.37 -34.85 78.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.144 0.497 . . . . 0.0 109.662 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.528 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 79.6 m80 -83.3 157.94 22.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.656 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.588 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.0 m-20 -98.99 168.92 9.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.266 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.506 HG23 ' NZ ' ' A' ' 105' ' ' LYS . 19.9 tt -108.14 134.26 50.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.986 0.422 . . . . 0.0 110.05 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -119.64 139.42 52.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.629 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.587 ' SG ' HG13 ' A' ' 117' ' ' ILE . 84.3 m -121.53 141.0 51.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.462 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 97.9 m-85 -114.31 132.43 56.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.448 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.571 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 74.1 t80 -60.3 -48.75 80.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.571 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 99.6 mttt -115.65 8.76 15.1 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.394 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.532 ' N ' ' HB3' ' A' ' 115' ' ' ARG . . . 93.45 -15.07 63.83 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.518 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 81.6 t80 -162.39 115.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.541 ' HG2' ' N ' ' A' ' 135' ' ' THR . 65.0 tttm 175.39 164.88 0.31 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.49 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.541 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 82.3 p -68.86 -22.34 64.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.594 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.463 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 63.8 tttm -93.16 120.53 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.6 pttt -150.33 158.96 44.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.211 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -118.02 146.02 44.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.371 . . . . 0.0 110.699 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.6 p -139.95 142.37 32.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.536 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.532 ' CG2' ' OXT' ' A' ' 140' ' ' ILE . 89.3 mt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 2.4 mpt_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.505 0.193 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.95 -39.76 93.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.622 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -64.76 -38.56 91.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.38 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.1 92.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.07 -39.91 96.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.341 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' A' ' 89' ' ' LEU . 98.2 mt-10 -62.94 -39.51 94.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.539 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.41 -40.79 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.566 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.97 -40.94 97.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.292 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.578 ' NH1' ' O ' ' A' ' 89' ' ' LEU . 79.8 ttt180 -62.02 -43.1 99.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.474 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.466 HD21 ' CD2' ' A' ' 45' ' ' LEU . 61.6 tp -60.98 -43.97 98.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.65 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.5 -39.91 95.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -61.08 -44.53 97.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.316 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.586 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . -61.57 -39.59 91.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.421 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.656 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 85.1 t80 -57.43 -46.71 83.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.319 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.83 -39.77 82.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.775 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.466 ' C ' HD13 ' A' ' 40' ' ' LEU . 98.5 m-20 -99.48 11.32 39.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.781 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.59 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 2.3 mp -105.65 91.69 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.869 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 67.1 t0 -67.24 131.66 46.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.826 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 77.88 21.76 70.61 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.647 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 89.5 m95 -117.58 135.95 53.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.562 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.667 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 78.2 m-85 -138.5 146.1 41.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.756 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.656 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 2.8 mp -124.67 144.6 50.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.627 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 t -120.02 129.08 54.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.475 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -64.23 -41.2 97.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.0 mmt -63.09 -40.16 96.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.459 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.617 ' O ' ' C ' ' A' ' 50' ' ' ASP . 58.0 mtmt -114.79 38.88 3.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.253 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.0 t0 -10.36 79.28 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.094 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 49' ' ' LYS . 96.7 p -155.82 163.79 39.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.665 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.603 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -114.83 140.56 48.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.426 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.667 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.3 p90 -151.99 163.93 38.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.526 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.647 ' CE ' ' CZ2' ' A' ' 43' ' ' TRP . 19.5 ptpt -137.1 155.95 48.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.7 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -108.01 102.97 12.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.299 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.607 ' CD2' ' OH ' ' A' ' 59' ' ' TYR . 1.6 m-30 -81.66 -16.1 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.231 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.79 -12.23 70.33 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.559 ' NZ ' ' OD2' ' A' ' 110' ' ' ASP . 63.4 mtpt -115.66 -33.2 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 0.0 110.124 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.651 ' CZ ' HD11 ' A' ' 111' ' ' LEU . 42.1 p90 -156.6 160.7 39.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.241 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.561 ' O ' ' O ' ' A' ' 80' ' ' LEU . 88.6 tt0 -113.13 130.6 56.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.963 0.411 . . . . 0.0 111.11 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.457 HG23 HG23 ' A' ' 82' ' ' VAL . 44.8 pt -123.5 138.0 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.479 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 52' ' ' ALA . 8.9 ptm180 -139.67 157.35 45.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.458 . . . . 0.0 110.982 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.613 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 1.8 mp -111.09 148.22 33.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.061 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.547 ' OG ' ' OD1' ' A' ' 83' ' ' ASN . 93.8 p -147.52 170.61 17.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 -179.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 65' ' ' ASN . 53.0 p30 -76.62 -168.86 1.09 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.138 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 74.2 m80 -59.64 -39.62 84.97 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.088 179.254 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.511 ' C ' ' HD3' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.511 ' HD3' ' C ' ' A' ' 78' ' ' GLY . 1.9 mpp_? -127.12 161.8 27.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 110.231 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.611 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 97.8 mt -59.94 145.09 47.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.953 0.406 . . . . 0.0 110.65 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 88.5 mt -121.32 127.32 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.386 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.541 ' CG2' ' HB ' ' A' ' 117' ' ' ILE . 85.3 t -112.71 119.0 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.763 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.566 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 50.1 t30 -95.41 107.35 19.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.633 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.546 ' CD1' ' HD2' ' A' ' 98' ' ' LYS . 3.6 mp -109.12 118.58 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.237 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 64' ' ' SER . 99.7 mttt -85.15 129.64 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.633 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.47 ' HB3' HG12 ' A' ' 94' ' ' ILE . . . -159.61 156.04 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.648 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.465 ' HB2' ' OD1' ' A' ' 90' ' ' ASN . 68.9 m -68.83 149.33 49.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -60.49 -42.49 96.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.578 ' O ' ' NH1' ' A' ' 32' ' ' ARG . 3.3 pp -73.98 -20.32 60.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.466 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.482 ' ND2' ' CD1' ' A' ' 89' ' ' LEU . 34.3 m120 -101.65 11.67 38.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.603 ' CZ ' ' CB ' ' A' ' 52' ' ' ALA . 91.7 t80 -59.3 -48.74 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.792 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.554 ' O ' ' OE1' ' A' ' 96' ' ' GLU . 57.2 t -62.36 -44.9 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.6 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -61.22 -42.88 99.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.991 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.551 HG22 ' N ' ' A' ' 95' ' ' ILE . 4.6 tp -61.74 -28.55 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.461 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.551 ' N ' HG22 ' A' ' 94' ' ' ILE . 87.9 mt -60.39 -45.21 96.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.302 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.554 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 53.3 mp0 -62.28 -43.7 98.22 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.348 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.55 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 29.6 t-20 -72.61 -48.99 35.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.928 0.394 . . . . 0.0 111.631 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.546 ' HD2' ' CD1' ' A' ' 84' ' ' ILE . 29.2 ttpp -64.24 -43.23 95.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.432 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.571 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 2.5 tt -59.51 -42.69 92.79 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.38 -39.14 93.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.822 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.1 mmtp -64.24 -39.71 94.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.786 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.571 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 42.9 pt -72.82 -39.32 59.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.912 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.524 ' N ' HG13 ' A' ' 102' ' ' ILE . 32.6 mm -63.05 -47.51 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.536 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.535 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 43.8 tt0 -63.54 -43.47 97.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.527 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.652 ' NZ ' ' SG ' ' A' ' 128' ' ' CYS . 40.9 ttmt -61.77 -43.93 97.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.766 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.547 ' CD1' ' OH ' ' A' ' 59' ' ' TYR . 78.8 mt -61.45 -43.31 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.458 . . . . 0.0 112.202 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.99 -41.45 92.09 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.464 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.535 ' NZ ' ' HG2' ' A' ' 104' ' ' GLU . 38.3 mtmm -91.5 -26.89 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.657 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.586 ' CD1' ' OH ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -157.11 116.04 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.322 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.559 ' OD2' ' NZ ' ' A' ' 58' ' ' LYS . 57.0 t0 -62.98 139.52 58.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.651 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 87.2 mt -61.71 -38.13 86.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.16 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.558 ' HA ' ' CD1' ' A' ' 80' ' ' LEU . 64.8 t0 -50.6 -23.31 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.08 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 33.0 mmtp -65.63 -38.05 88.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.94 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.61 ' CE2' ' OE1' ' A' ' 138' ' ' GLU . 53.4 m-85 -86.94 120.85 28.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.372 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.517 ' HD2' ' O ' ' A' ' 131' ' ' LYS . 43.3 ttm180 -63.9 -41.97 97.56 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.394 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.508 ' C ' HG13 ' A' ' 117' ' ' ILE . 78.3 t80 -130.0 127.44 40.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.616 ' CG2' ' SG ' ' A' ' 128' ' ' CYS . 0.5 OUTLIER -132.51 141.65 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.625 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.566 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 53.9 t-20 -148.81 111.57 4.8 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.58 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.544 ' CB ' HG13 ' A' ' 84' ' ' ILE . . . -83.61 155.25 23.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.549 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 47.3 p -126.7 161.58 27.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.276 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.569 ' O ' ' O ' ' A' ' 120' ' ' THR . 22.6 m120 -39.97 171.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.571 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.65 -40.13 90.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.523 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.6 -34.78 78.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.025 0.441 . . . . 0.0 109.899 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.527 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 99.0 m-70 -84.1 159.82 21.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.638 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.593 ' O ' ' OG1' ' A' ' 120' ' ' THR . 15.7 t0 -98.83 170.65 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.204 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.497 ' O ' HG13 ' A' ' 139' ' ' VAL . 18.6 tt -108.32 132.5 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.453 . . . . 0.0 110.305 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.4 ' HE3' ' HZ2' ' A' ' 137' ' ' LYS . 59.9 mtpt -120.57 139.02 53.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.848 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.652 ' SG ' ' NZ ' ' A' ' 105' ' ' LYS . 69.0 m -127.7 147.8 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.361 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.464 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 77.9 m-85 -117.28 135.36 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.6 t80 -59.75 -49.4 77.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.768 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.517 ' O ' ' HD2' ' A' ' 115' ' ' ARG . 11.5 ptmm? -118.11 14.34 14.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.442 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.464 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.04 -12.69 68.36 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.529 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.8 t80 -162.01 116.16 1.87 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 56.6 tptt 174.36 160.44 0.18 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.475 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.529 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 82.8 p -69.15 -18.02 63.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.11 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.452 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 24.0 tptm -91.34 120.01 31.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.689 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.2 pttt -150.55 158.96 44.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.216 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.61 ' OE1' ' CE2' ' A' ' 114' ' ' TYR . 51.4 mp0 -120.38 133.71 55.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.317 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.574 ' CG1' ' OD2' ' A' ' 125' ' ' ASP . 86.2 t -126.86 128.73 71.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.567 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 62.6 ttm-85 . . . . . 0 C--O 1.231 0.114 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.574 ' OE2' ' CG ' ' A' ' 29' ' ' GLU . 16.5 tm-20 -64.73 -40.5 95.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.994 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -59.78 -48.41 81.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.536 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.8 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 30.7 mm100 -63.03 -39.68 95.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.334 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.574 ' CG ' ' OE2' ' A' ' 25' ' ' GLU . 78.5 mm-40 -62.54 -39.53 93.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.466 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.5 tpp -60.66 -45.47 94.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.326 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.529 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 98.4 m-20 -61.84 -39.98 93.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.259 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.45 ' HD3' ' C ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -61.31 -42.11 98.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 179.648 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.652 ' CD1' ' CD2' ' A' ' 91' ' ' PHE . 4.2 tt -60.38 -45.37 93.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.03 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.49 -41.77 94.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.676 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.55 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -61.03 -37.99 84.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 40' ' ' LEU . . . -60.35 -39.93 88.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.57 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.646 ' CG ' ' CD1' ' A' ' 45' ' ' LEU . 65.4 m-85 -64.44 -37.57 87.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.31 -38.86 88.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.347 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -98.1 8.45 44.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.751 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.58 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 1.4 mm? -106.06 110.25 22.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.631 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.26 128.76 37.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.836 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.526 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 82.15 13.55 78.84 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 121.133 -0.556 . . . . 0.0 111.742 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.586 ' CZ2' ' HD2' ' A' ' 54' ' ' LYS . 90.3 m95 -118.11 128.52 54.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.959 0.409 . . . . 0.0 110.986 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.436 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 86.7 m-85 -140.52 151.08 44.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.683 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.646 ' CD1' ' CG ' ' A' ' 37' ' ' PHE . 2.6 mp -119.26 141.04 49.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.497 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 69.9 m -115.46 128.47 56.04 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.268 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -65.47 -45.06 85.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.679 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.4 ttp -59.23 -45.79 90.22 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.389 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -122.04 61.16 0.96 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.868 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.583 ' C ' ' O ' ' A' ' 49' ' ' LYS . 65.6 m-20 -24.88 90.01 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.233 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 49' ' ' LYS . 92.8 p -152.38 165.28 35.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.763 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . . . -108.64 138.22 45.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.633 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.668 ' CZ ' ' OE2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -107.24 137.47 45.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.839 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.626 ' CE ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -135.38 96.6 3.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.245 179.275 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -98.25 105.92 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.352 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.626 ' CZ ' ' CE ' ' A' ' 54' ' ' LYS . 89.5 m-85 -90.94 -8.36 49.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.03 0.443 . . . . 0.0 110.268 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.45 -10.74 73.53 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -115.38 -28.77 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.938 0.399 . . . . 0.0 110.404 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.581 ' CE1' HG23 ' A' ' 61' ' ' ILE . 52.5 p90 -155.79 161.89 40.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.575 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.668 ' OE2' ' CZ ' ' A' ' 53' ' ' TYR . 89.2 tt0 -113.33 123.76 50.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.581 HG23 ' CE1' ' A' ' 59' ' ' TYR . 47.4 pt -132.08 137.39 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.224 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.654 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 18.3 ptp180 -140.19 159.07 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.495 ' CB ' ' HE1' ' A' ' 91' ' ' PHE . 9.2 mp -105.44 153.29 21.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.345 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.566 ' OG ' ' OD1' ' A' ' 83' ' ' ASN . 94.3 p -148.8 163.46 37.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.067 0.461 . . . . 0.0 110.785 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.604 ' OD1' ' N ' ' A' ' 66' ' ' HIS . 16.3 t-20 -65.28 173.05 2.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.752 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.637 ' CD2' ' ND2' ' A' ' 121' ' ' ASN . 73.2 m80 -61.04 -38.93 87.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.039 179.243 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.441 ' C ' ' HD3' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.441 ' HD3' ' C ' ' A' ' 78' ' ' GLY . 0.7 OUTLIER -125.91 158.93 33.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 110.605 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.598 ' CD1' ' O ' ' A' ' 114' ' ' TYR . 0.9 OUTLIER -56.42 147.21 22.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.0 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.44 ' H ' HD11 ' A' ' 80' ' ' LEU . 3.9 mp -117.2 127.44 74.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.588 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.598 ' CG2' ' CD1' ' A' ' 117' ' ' ILE . 50.6 t -116.25 121.65 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.805 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.574 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 64.9 t30 -97.03 108.91 21.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.71 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.47 HG23 ' HD2' ' A' ' 98' ' ' LYS . 84.4 mt -108.3 119.67 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.276 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 64' ' ' SER . 64.2 mttp -87.81 129.47 35.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.95 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -161.65 145.64 12.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.404 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.8 p -73.26 159.15 33.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.214 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.403 ' N ' ' CD ' ' A' ' 88' ' ' LYS . 1.8 mptp? -63.15 -40.6 98.02 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.498 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.525 ' CD2' ' OD1' ' A' ' 90' ' ' ASN . 9.9 tt -63.88 -43.08 97.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.701 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.525 ' OD1' ' CD2' ' A' ' 89' ' ' LEU . 98.6 m-20 -99.78 11.79 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.603 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.652 ' CD2' ' CD1' ' A' ' 33' ' ' LEU . 90.2 t80 -58.89 -48.68 80.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.553 ' O ' ' OE1' ' A' ' 96' ' ' GLU . 57.6 t -61.93 -44.95 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.496 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -61.03 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.954 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 91' ' ' PHE . 3.9 tp -61.01 -28.59 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.181 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.538 ' O ' ' HB2' ' A' ' 99' ' ' LEU . 88.4 mt -60.64 -46.55 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.467 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.553 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 60.6 mp0 -63.06 -44.38 95.97 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.78 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.535 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 65.2 t30 -72.37 -46.3 55.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.834 0.349 . . . . 0.0 111.631 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.521 ' CG ' HG13 ' A' ' 94' ' ' ILE . 75.0 mmtt -65.53 -40.3 92.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.981 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.568 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 9.4 mp -63.84 -43.24 96.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.14 0.495 . . . . 0.0 109.871 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.13 -39.41 94.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.762 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 48.4 mmtm -64.47 -39.47 93.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.587 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 44.2 pt -75.27 -39.22 42.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.091 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.537 ' N ' HG13 ' A' ' 102' ' ' ILE . 28.7 mm -62.04 -44.9 99.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.766 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.08 -42.67 99.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.257 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' A' ' 109' ' ' LEU . 98.1 mttt -62.41 -41.5 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.836 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.555 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 33.1 mm -62.97 -45.88 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-O 120.962 0.411 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.88 -42.37 98.98 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.699 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -74.3 -38.86 63.23 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.46 0.647 . . . . 0.0 109.936 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.555 ' O ' ' O ' ' A' ' 105' ' ' LYS . 3.0 pp -157.1 168.19 28.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.845 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.508 ' HB3' ' OD1' ' A' ' 112' ' ' ASP . 97.5 m-20 -85.4 128.34 34.68 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.506 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.602 ' CD2' ' N ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -79.32 -20.62 47.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.048 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.602 ' N ' ' CD2' ' A' ' 111' ' ' LEU . 59.3 p30 -69.14 -13.56 62.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.089 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 30.4 mtpp -64.67 -39.07 93.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.994 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 7.9 m-85 -73.02 128.97 37.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.793 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.557 ' CG ' ' HA ' ' A' ' 131' ' ' LYS . 42.2 mmt180 -63.69 -39.6 94.73 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.662 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -146.98 125.13 12.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.995 0.426 . . . . 0.0 111.466 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.598 ' CD1' ' CG2' ' A' ' 82' ' ' VAL . 30.6 pt -129.67 150.54 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.574 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 63.1 t-20 -147.19 113.5 5.91 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.876 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.474 ' HA ' HG13 ' A' ' 126' ' ' ILE . . . -83.0 152.79 25.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.943 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.561 ' O ' ' O ' ' A' ' 121' ' ' ASN . 6.4 m -124.72 156.33 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 0.0 110.54 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.637 ' ND2' ' CD2' ' A' ' 66' ' ' HIS . 41.0 m-80 -38.28 169.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.597 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.509 ' CD2' HD21 ' A' ' 97' ' ' ASN . 90.1 mt -61.41 -40.08 93.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.547 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.7 -35.81 81.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.229 0.538 . . . . 0.0 109.593 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.553 ' CB ' ' CG2' ' A' ' 120' ' ' THR . 99.1 m-70 -86.34 165.15 16.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.294 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 125' ' ' ASP . 54.5 p30 -96.22 172.35 8.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.397 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.505 HD12 ' NZ ' ' A' ' 105' ' ' LYS . 15.2 tt -109.97 133.03 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.71 139.26 52.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.712 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 137' ' ' LYS . 71.1 m -126.43 146.64 50.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.558 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.508 ' O ' ' HB3' ' A' ' 114' ' ' TYR . 98.4 m-85 -117.27 132.16 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.413 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -60.09 -49.11 78.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.643 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.557 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 17.6 ptmt -117.55 11.84 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.342 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.456 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.2 -12.06 70.29 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.522 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 87.8 t80 -162.37 116.73 1.82 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 133' ' ' PHE . 19.6 mtpt 171.52 165.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.9 0.381 . . . . 0.0 110.842 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 80.4 p -70.22 -22.0 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.435 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -88.57 120.64 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.1 pttt -150.74 158.73 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.537 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.454 ' OE2' ' OH ' ' A' ' 114' ' ' TYR . 99.5 mt-10 -110.25 139.14 45.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.31 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 139' ' ' VAL . 11.5 p -140.4 142.27 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.759 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.537 ' CD1' ' HE2' ' A' ' 105' ' ' LYS . 80.8 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.578 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.516 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 62.7 ttm-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.772 0.32 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.98 -41.8 97.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.945 0.402 . . . . 0.0 110.008 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.89 -49.07 79.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.238 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.29 95.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.54 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 98.7 mm-40 -63.54 -39.87 95.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.685 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.58 ' OE1' ' NH2' ' A' ' 32' ' ' ARG . 54.2 tp10 -61.23 -44.02 97.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.275 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.1 ttt -61.9 -44.57 96.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.566 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 66.1 t0 -60.86 -48.73 80.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.079 0.466 . . . . 0.0 110.484 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.58 ' NH2' ' OE1' ' A' ' 29' ' ' GLU . 60.6 ttp180 -62.6 -45.21 93.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.87 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' HG ' ' HE1' ' A' ' 37' ' ' PHE . 60.4 tp -62.67 -45.29 93.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.633 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.5 pt-20 -65.02 -28.41 69.48 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.006 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 62.0 mtpt -63.22 -39.53 94.9 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.543 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.57 ' O ' ' CD2' ' A' ' 40' ' ' LEU . . . -61.13 -41.12 96.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.357 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.692 ' CZ ' ' CE2' ' A' ' 91' ' ' PHE . 84.7 m-85 -65.35 -38.84 91.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.597 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.23 -38.65 90.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -95.41 6.53 48.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.57 ' CD2' ' O ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -102.33 98.29 8.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.619 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.567 ' OD1' ' O ' ' A' ' 41' ' ' ASP . 58.5 p30 -67.57 141.78 56.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.524 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.561 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 82.51 2.46 90.62 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.112 -0.566 . . . . 0.0 111.718 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.581 ' CZ2' ' HE3' ' A' ' 54' ' ' LYS . 94.3 m95 -117.83 135.12 54.29 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.526 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 74.4 m-85 -138.32 146.42 42.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.585 HD22 ' CD2' ' A' ' 37' ' ' PHE . 2.9 mp -126.3 148.14 49.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.515 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.9 p -119.08 135.65 54.54 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.4 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.5 m -67.55 -40.77 84.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.353 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.31 -40.63 96.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.533 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.607 ' O ' ' N ' ' A' ' 51' ' ' SER . 30.1 mmmt -121.51 49.57 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.072 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.3 m-20 -18.39 84.63 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.811 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.8 t -152.48 149.94 29.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.715 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.583 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . . . -108.82 138.03 45.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.474 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.9 p90 -151.55 160.58 43.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.687 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.663 ' NZ ' ' CE1' ' A' ' 56' ' ' PHE . 21.3 ttpp -132.91 131.93 41.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.988 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -100.42 105.59 17.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.333 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CE1' ' NZ ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -89.01 -12.25 41.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.999 0.428 . . . . 0.0 110.354 179.1 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.48 -10.1 75.52 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HE2' ' OD2' ' A' ' 112' ' ' ASP . 16.8 tptm -109.05 -40.23 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.02 0.438 . . . . 0.0 109.916 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.593 ' CE1' HG23 ' A' ' 61' ' ' ILE . 52.8 p90 -153.73 161.14 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.4 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -107.43 129.97 54.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 111.16 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.593 HG23 ' CE1' ' A' ' 59' ' ' TYR . 49.4 pt -129.22 137.88 55.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.151 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.587 ' NH2' ' OG ' ' A' ' 51' ' ' SER . 17.8 ptm180 -140.02 157.53 45.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.017 0.437 . . . . 0.0 111.176 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.573 HD23 ' CE1' ' A' ' 91' ' ' PHE . 8.3 mp -112.56 152.79 28.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.277 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.5 p -148.16 164.26 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.755 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -62.96 -163.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.497 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -59.1 -46.62 87.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.267 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.329 -0.317 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.317 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.452 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.523 0.566 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.452 ' HD2' ' O ' ' A' ' 78' ' ' GLY . 31.1 mmm180 -133.54 156.35 47.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.322 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.6 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 2.5 mm? -56.57 137.98 52.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.548 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.5 mt -118.64 125.88 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.91 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.524 ' CG1' HG21 ' A' ' 117' ' ' ILE . 84.5 t -121.42 124.61 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.058 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.504 HD21 ' CG ' ' A' ' 62' ' ' ARG . 32.5 m120 -108.6 136.58 47.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.529 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 86.6 mt -118.34 126.92 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.486 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -101.54 123.67 45.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.608 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.535 ' CB ' HG12 ' A' ' 94' ' ' ILE . . . -160.16 151.05 18.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.505 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.4 p -71.73 160.42 32.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.264 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.35 -40.68 97.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.307 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.55 ' CD2' ' NH2' ' A' ' 32' ' ' ARG . 88.2 mt -64.21 -39.37 93.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.324 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.53 13.42 34.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.756 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CE2' ' CZ ' ' A' ' 37' ' ' PHE . 83.9 t80 -58.77 -49.1 78.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.769 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.53 ' O ' HG12 ' A' ' 95' ' ' ILE . 71.9 t -62.7 -45.61 98.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.264 0.554 . . . . 0.0 110.618 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.38 -39.77 95.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.125 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.557 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 6.1 tp -64.05 -36.34 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.4 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.572 ' O ' ' HB2' ' A' ' 99' ' ' LEU . 40.4 pt -78.55 -26.99 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.789 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -62.12 -47.04 86.37 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.631 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 63.4 t30 -88.44 -38.75 14.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 17.8 tppt? -64.27 -43.01 96.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.335 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.573 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 89.4 mt -62.48 -40.36 96.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.557 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.09 -38.91 93.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.573 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.2 mmtp -64.15 -39.91 95.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.594 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.573 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 43.7 pt -74.53 -39.92 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.705 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.538 ' N ' HG13 ' A' ' 102' ' ' ILE . 91.9 mt -62.76 -46.12 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.045 0.45 . . . . 0.0 110.161 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.567 ' HG3' ' NZ ' ' A' ' 108' ' ' LYS . 54.4 tp10 -63.07 -42.5 99.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.722 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.569 ' NZ ' ' CD ' ' A' ' 138' ' ' GLU . 25.2 ttmm -60.63 -43.0 98.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.524 HG13 ' CD1' ' A' ' 111' ' ' LEU . 76.8 mt -60.79 -42.75 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.826 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -58.8 -48.84 79.86 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.128 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.567 ' NZ ' ' HG3' ' A' ' 104' ' ' GLU . 37.7 mtmm -73.89 -37.16 64.78 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.568 ' O ' ' O ' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -155.37 126.96 7.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.172 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.03 144.94 56.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.524 ' CD1' HG13 ' A' ' 106' ' ' ILE . 7.9 mp -65.2 -11.91 45.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.073 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.501 ' OD2' ' HE2' ' A' ' 58' ' ' LYS . 98.4 m-20 -61.84 -27.53 68.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.566 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 98.0 mttt -64.02 -39.35 93.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.133 0.492 . . . . 0.0 109.924 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.6 ' O ' ' CG ' ' A' ' 80' ' ' LEU . 87.4 m-85 -80.98 153.73 27.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.35 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.566 ' NH1' ' O ' ' A' ' 113' ' ' LYS . 10.7 mpt_? -107.96 -28.3 9.67 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.653 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.47 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 90.8 t80 -143.08 125.74 15.92 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.052 0.454 . . . . 0.0 111.228 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.586 HG13 ' SG ' ' A' ' 128' ' ' CYS . 1.3 mp -130.89 138.35 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.939 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -135.14 111.49 9.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.979 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.458 ' HA ' HG13 ' A' ' 126' ' ' ILE . . . -83.48 148.84 27.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.477 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.557 ' CG2' ' HB2' ' A' ' 124' ' ' HIS . 26.4 m -129.49 156.44 44.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.066 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.538 ' N ' HG21 ' A' ' 120' ' ' THR . 63.7 t30 -37.4 148.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.087 0.47 . . . . 0.0 111.283 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.53 HD13 ' N ' ' A' ' 123' ' ' GLU . 3.4 pp -46.77 -31.85 3.27 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.229 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.53 ' N ' HD13 ' A' ' 122' ' ' LEU . 98.9 mt-10 -65.72 -33.63 76.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.557 ' HB2' ' CG2' ' A' ' 120' ' ' THR . 78.8 m80 -96.46 165.09 12.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.292 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -97.76 170.25 9.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.478 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.553 ' O ' ' CG2' ' A' ' 139' ' ' VAL . 20.2 tt -108.81 139.98 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.214 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.557 ' HD3' ' NZ ' ' A' ' 137' ' ' LYS . 98.4 mttt -119.8 138.33 53.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.754 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.586 ' SG ' HG13 ' A' ' 117' ' ' ILE . 82.4 m -125.47 145.31 50.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.751 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.48 ' C ' ' HD2' ' A' ' 114' ' ' TYR . 98.6 m-85 -117.81 134.58 54.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.165 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.525 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 83.7 m-85 -63.64 -41.94 98.2 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.992 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.536 ' HE3' ' NZ ' ' A' ' 134' ' ' LYS . 99.6 mttt -117.24 8.84 13.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.017 0.436 . . . . 0.0 110.345 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.47 ' HA2' ' HB3' ' A' ' 116' ' ' PHE . . . 91.79 -13.34 67.04 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.518 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 83.5 t80 -162.35 116.09 1.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.536 ' NZ ' ' HE3' ' A' ' 131' ' ' LYS . 39.6 ttmt 174.65 161.21 0.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.831 0.348 . . . . 0.0 110.613 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.496 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 11.8 t -68.23 -13.58 62.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.171 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.495 ' O ' ' HD1' ' A' ' 130' ' ' TYR . 99.7 mttt -96.83 118.39 33.16 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.422 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.557 ' NZ ' ' HD3' ' A' ' 127' ' ' LYS . 20.8 ptmt -151.25 158.4 43.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.541 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.569 ' CD ' ' NZ ' ' A' ' 105' ' ' LYS . 88.8 tt0 -119.86 129.86 54.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.459 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.553 ' CG2' ' O ' ' A' ' 126' ' ' ILE . 10.3 p -135.83 141.47 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.69 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.422 ' N ' HG23 ' A' ' 139' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.574 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HA ' ' HB1' ' A' ' 27' ' ' ALA . 9.1 ptm180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.628 0.252 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 54.2 tp10 -61.63 -46.28 90.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 110.738 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -80.39 -28.42 37.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.636 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.434 ' HB1' ' HA ' ' A' ' 24' ' ' ARG . . . -61.31 -42.52 98.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.72 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.527 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 20.9 pt20 -70.8 -30.48 66.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.965 0.412 . . . . 0.0 110.239 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.524 ' O ' HD11 ' A' ' 33' ' ' LEU . 78.7 mm-40 -63.43 -38.58 91.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.58 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 98.4 mtp -61.23 -39.12 89.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 98.4 m-20 -60.3 -40.91 92.2 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.494 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.527 ' HD3' ' O ' ' A' ' 28' ' ' GLN . 12.5 mpt_? -64.5 -41.65 96.32 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.615 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.578 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 11.0 mp -64.35 -45.54 87.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.7 pt-20 -65.87 -29.21 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.591 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.51 -46.3 90.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.398 . . . . 0.0 110.053 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -62.88 -40.21 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.701 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.649 ' CG ' ' CD1' ' A' ' 45' ' ' LEU . 65.1 m-85 -64.33 -36.67 84.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.575 ' OE1' ' ND2' ' A' ' 39' ' ' ASN . 16.7 tm-20 -60.06 -39.89 87.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.575 ' ND2' ' OE1' ' A' ' 38' ' ' GLU . 34.2 m120 -96.94 6.64 48.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.454 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -104.16 94.55 5.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 98.8 m-20 -64.4 140.51 58.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.032 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 81.1 9.21 86.45 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.667 ' CZ3' ' NZ ' ' A' ' 54' ' ' LYS . 76.0 m95 -117.65 133.91 55.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.667 0.27 . . . . 0.0 110.275 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 78.9 m-85 -140.0 148.69 42.23 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.356 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.649 ' CD1' ' CG ' ' A' ' 37' ' ' PHE . 2.7 mp -123.44 143.37 50.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.258 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.9 p -120.48 137.83 54.14 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.713 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.6 p -70.28 -35.61 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.078 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.53 -46.28 90.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.292 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.634 ' O ' ' C ' ' A' ' 50' ' ' ASP . 58.1 mtmt -117.8 38.56 3.6 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.901 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.0 m-20 0.8 69.51 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.504 0.503 . . . . 0.0 111.049 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.602 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.6 t -150.02 152.18 34.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.585 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . . . -108.39 144.18 36.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.443 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.4 p90 -147.5 161.45 41.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.344 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.667 ' NZ ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -143.61 149.26 37.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -114.34 125.51 53.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.778 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 54' ' ' LYS . 96.4 m-85 -104.71 -5.48 21.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 110.153 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.08 -9.38 74.99 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.526 ' NZ ' ' H ' ' A' ' 112' ' ' ASP . 66.0 tttm -113.35 -41.82 3.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 110.537 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CD1' HG21 ' A' ' 61' ' ' ILE . 54.8 p90 -150.59 160.52 43.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.643 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 88.7 tt0 -109.93 130.34 55.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 111.226 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.599 HG21 ' CD1' ' A' ' 59' ' ' TYR . 48.5 pt -127.64 138.89 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.242 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 62' ' ' ARG . 10.5 ptm85 -132.55 156.21 47.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.03 0.443 . . . . 0.0 110.883 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.582 HD22 ' CE1' ' A' ' 91' ' ' PHE . 7.4 mp -116.67 149.38 39.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.559 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.0 p -149.39 163.06 38.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.573 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -72.42 -162.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.517 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -58.72 -47.01 86.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.06 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--N 1.327 -0.375 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.214 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.589 ' NH2' ' OD2' ' A' ' 112' ' ' ASP . 29.6 mmm180 -83.03 157.88 22.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.327 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' CD2' ' O ' ' A' ' 114' ' ' TYR . 2.2 tm? -58.84 129.16 40.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.978 0.418 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 87.2 mt -116.8 127.71 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.541 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.533 ' CG1' HG22 ' A' ' 117' ' ' ILE . 85.7 t -112.31 120.23 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -96.71 108.66 21.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.289 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.548 ' HA ' ' CB ' ' A' ' 119' ' ' ALA . 83.3 mt -99.54 122.97 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.999 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.39 120.33 40.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.395 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.42 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -159.47 153.4 23.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.507 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.0 m -69.79 147.92 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.25 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.517 ' CD ' ' HB3' ' A' ' 29' ' ' GLU . 18.9 ptpt -60.72 -28.14 68.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.532 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.56 -42.86 98.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.436 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -105.13 20.81 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.735 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.582 ' CE1' HD22 ' A' ' 63' ' ' LEU . 90.7 t80 -58.19 -48.35 80.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.765 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.452 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 67.3 t -61.42 -45.38 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.191 0.519 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.31 -39.6 91.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.012 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.561 HG23 ' N ' ' A' ' 95' ' ' ILE . 4.9 tp -61.6 -28.4 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.818 0.342 . . . . 0.0 110.173 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.577 HD12 ' CH2' ' A' ' 43' ' ' TRP . 33.7 mm -60.66 -47.17 94.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.684 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 100' ' ' ASP . 97.0 mt-10 -65.7 -43.86 87.88 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.96 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.612 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 99.0 m-20 -70.54 -39.5 73.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' A' ' 98' ' ' LYS . 5.9 tmtt? -82.43 -49.75 9.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 0.0 111.496 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.569 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 0.4 OUTLIER -59.4 -40.01 85.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.39 -178.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.568 ' CG ' ' O ' ' A' ' 96' ' ' GLU . 99.2 m-20 -62.2 -38.64 89.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.802 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.1 mmtt -64.33 -39.67 94.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.569 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 42.1 pt -73.6 -34.68 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.534 HG12 ' CD1' ' A' ' 99' ' ' LEU . 28.8 mm -62.31 -44.66 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 110.212 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.485 ' O ' ' HE2' ' A' ' 108' ' ' LYS . 88.9 tt0 -63.12 -41.89 99.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.861 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 73.9 mmtt -62.37 -40.18 95.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.266 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.578 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 76.0 mt -61.7 -46.31 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.353 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.85 -43.98 97.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.951 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.485 ' HE2' ' O ' ' A' ' 104' ' ' GLU . 1.2 mppt? -83.26 -30.49 27.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.106 0.479 . . . . 0.0 110.373 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 1.1 pt? -150.11 177.25 10.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.764 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.489 ' HB2' ' HG2' ' A' ' 113' ' ' LYS . 98.4 m-20 -102.33 132.03 48.56 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.159 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.59 HD13 ' CE2' ' A' ' 59' ' ' TYR . 89.1 mt -63.82 -35.42 80.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.311 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.589 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 98.7 m-20 -59.97 -18.37 45.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.61 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' A' ' 110' ' ' ASP . 73.2 mmtt -63.96 -39.2 93.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.123 0.487 . . . . 0.0 109.973 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.583 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 56.9 m-85 -79.45 147.05 32.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.162 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.582 ' C ' ' CD2' ' A' ' 80' ' ' LEU . 41.5 mmt180 -104.04 -21.8 13.54 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.56 ' HD2' ' CD1' ' A' ' 129' ' ' TYR . 87.8 t80 -145.99 125.31 13.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.108 0.48 . . . . 0.0 111.411 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.653 ' CG1' ' SG ' ' A' ' 128' ' ' CYS . 1.3 mp -133.36 139.78 48.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.707 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.508 ' O ' ' HB ' ' A' ' 126' ' ' ILE . 66.7 t30 -133.45 113.03 12.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.888 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.548 ' CB ' ' HA ' ' A' ' 84' ' ' ILE . . . -82.26 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.171 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.454 ' HB ' ' HB2' ' A' ' 124' ' ' HIS . 62.6 p -126.57 161.39 28.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.513 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.581 ' O ' ' O ' ' A' ' 124' ' ' HIS . 99.2 m-20 -47.82 173.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.42 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.453 ' CD2' HD21 ' A' ' 97' ' ' ASN . 89.5 mt -60.5 -39.15 86.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.418 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.0 -35.0 79.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.405 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.581 ' O ' ' O ' ' A' ' 121' ' ' ASN . 79.9 m80 -100.83 151.11 22.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.442 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.3 m-20 -99.51 168.87 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.585 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.579 ' CD1' ' C ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -108.67 168.36 3.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.24 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.541 ' NZ ' ' OH ' ' A' ' 129' ' ' TYR . 0.3 OUTLIER -144.0 154.53 43.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.135 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.653 ' SG ' ' CG1' ' A' ' 117' ' ' ILE . 83.6 m -121.55 147.59 45.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.714 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.56 ' CD1' ' HD2' ' A' ' 116' ' ' PHE . 97.3 m-85 -116.03 134.74 54.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.005 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.598 ' CD2' ' HD3' ' A' ' 131' ' ' LYS . 74.3 t80 -60.27 -48.18 82.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.578 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.598 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 0.1 OUTLIER -117.32 10.76 13.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.408 . . . . 0.0 110.42 179.37 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.532 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 91.16 -12.42 69.23 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.515 ' O ' ' HG2' ' A' ' 134' ' ' LYS . 87.2 t80 -161.75 116.44 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 133' ' ' PHE . 14.5 mmtt 171.44 164.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.887 0.375 . . . . 0.0 110.777 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.4 t -68.98 -21.06 64.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.531 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -91.05 118.46 30.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -150.99 159.18 44.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.421 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.495 ' HG3' ' OH ' ' A' ' 114' ' ' TYR . 79.7 mm-40 -113.13 145.34 41.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.384 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.415 ' O ' HG12 ' A' ' 139' ' ' VAL . 11.4 p -136.74 140.91 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.674 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.527 ' CG2' ' HD2' ' A' ' 101' ' ' LYS . 84.8 mt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.072 -0.965 . . . . 0.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.51 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 61.1 ttp180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.732 0.301 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 79.2 mm-40 -66.61 -40.42 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.044 0.45 . . . . 0.0 110.399 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.67 -47.5 85.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.579 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.553 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -62.25 -40.31 95.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.583 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 98.5 mm-40 -63.02 -39.44 94.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.602 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.579 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 78.7 mm-40 -63.37 -39.43 94.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.15 -47.95 83.76 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.869 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.583 ' OD1' ' O ' ' A' ' 28' ' ' GLN . 6.9 p-10 -70.05 -34.64 73.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.491 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.481 HH21 ' CB ' ' A' ' 35' ' ' LYS . 8.9 tpm_? -61.3 -46.06 91.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.739 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.645 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 9.0 mp -63.98 -44.26 93.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.736 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.3 pt-20 -64.01 -34.94 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.037 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 98.1 mttt -64.31 -40.49 96.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.993 0.425 . . . . 0.0 110.349 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 40' ' ' LEU . . . -62.68 -40.62 97.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.692 ' CZ ' ' CZ ' ' A' ' 91' ' ' PHE . 72.1 m-85 -64.85 -38.34 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.535 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.22 -41.3 96.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.369 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -92.98 10.07 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.449 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.579 ' CD2' ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -102.7 95.31 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.526 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.08 140.74 58.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.715 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.552 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.97 2.46 90.57 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.586 ' CZ2' ' HE3' ' A' ' 54' ' ' LYS . 93.7 m95 -118.91 139.58 51.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.926 0.393 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.514 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 81.6 m-85 -137.41 149.53 46.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.948 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 37' ' ' PHE . 90.2 mt -112.3 141.52 45.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.433 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.3 t -114.98 128.61 56.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.395 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.6 m -65.1 -40.86 95.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.205 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.18 -46.18 89.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.941 0.4 . . . . 0.0 109.995 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.63 ' O ' ' N ' ' A' ' 51' ' ' SER . 38.4 ttpt -121.89 61.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.636 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.553 ' C ' ' O ' ' A' ' 49' ' ' LYS . 99.2 m-20 -24.4 85.8 0.0 OUTLIER 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.82 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.1 p -159.07 163.7 36.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.471 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.662 ' CB ' ' CE2' ' A' ' 37' ' ' PHE . . . -117.27 145.23 44.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.514 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 61' ' ' ILE . 52.2 p90 -149.03 160.21 43.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.876 0.369 . . . . 0.0 110.719 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.586 ' HE3' ' CZ2' ' A' ' 43' ' ' TRP . 41.5 ttmt -116.07 129.83 56.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.173 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -90.98 99.63 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.629 ' CD2' ' OH ' ' A' ' 59' ' ' TYR . 0.6 OUTLIER -84.64 -20.03 31.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.295 179.216 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.72 -11.18 72.84 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' O ' ' NE ' ' A' ' 79' ' ' ARG . 57.2 mtmt -115.24 -30.43 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.116 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.629 ' OH ' ' CD2' ' A' ' 56' ' ' PHE . 55.3 p90 -156.3 161.67 40.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.11 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 88.9 tt0 -114.87 128.69 56.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 111.109 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 59' ' ' TYR . 47.3 pt -127.42 137.76 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.158 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 10.8 ptp85 -139.81 158.28 44.35 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.164 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.46 ' HG ' ' HB ' ' A' ' 84' ' ' ILE . 10.2 mp -110.93 149.5 30.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.103 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 91.4 p -147.33 163.06 37.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.783 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.569 ' ND2' ' ND1' ' A' ' 66' ' ' HIS . 51.3 t30 -56.77 -163.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.557 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.569 ' ND1' ' ND2' ' A' ' 65' ' ' ASN . 53.8 p-80 -62.69 -19.82 64.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.265 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.9 p . . . . . 0 C--N 1.329 -0.284 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.894 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.426 ' NE ' ' O ' ' A' ' 58' ' ' LYS . 30.4 mmm180 -126.25 156.54 40.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.464 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.606 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 3.0 tt -56.97 128.37 36.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.628 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.562 ' N ' HD21 ' A' ' 80' ' ' LEU . 87.9 mt -119.18 124.83 73.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.28 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.526 ' CG1' HG21 ' A' ' 117' ' ' ILE . 97.2 t -118.18 124.5 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.381 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.497 ' OD1' ' HG2' ' A' ' 62' ' ' ARG . 98.2 m-20 -110.91 135.18 51.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.237 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.545 ' CG1' ' HE2' ' A' ' 98' ' ' LYS . 2.5 mp -119.82 126.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.803 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.551 ' O ' ' OD1' ' A' ' 121' ' ' ASN . 37.7 mtmm -99.69 128.18 45.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.418 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.52 ' HA ' ' OD1' ' A' ' 121' ' ' ASN . . . -159.28 154.55 25.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.693 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.5 t -63.71 141.93 58.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.283 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HD3' ' HB3' ' A' ' 29' ' ' GLU . 9.7 ptpp? -58.87 -29.41 66.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.539 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.509 HD21 ' OE1' ' A' ' 29' ' ' GLU . 87.1 mt -64.43 -39.37 93.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.0 0.428 . . . . 0.0 110.187 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -105.29 20.22 19.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.624 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CZ ' ' CZ ' ' A' ' 37' ' ' PHE . 86.7 t80 -58.24 -49.2 77.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.881 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.551 ' O ' HG21 ' A' ' 95' ' ' ILE . 59.0 t -62.79 -44.01 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.134 0.492 . . . . 0.0 110.496 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.13 -40.35 93.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.327 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.53 HG21 ' O ' ' A' ' 91' ' ' PHE . 3.9 tp -58.81 -33.37 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.018 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.563 HG21 ' N ' ' A' ' 96' ' ' GLU . 15.6 tt -62.71 -36.92 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.535 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.563 ' N ' HG21 ' A' ' 95' ' ' ILE . 15.5 tm-20 -63.72 -47.84 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 50.8 t30 -71.77 -45.64 61.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.619 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.59 ' NZ ' ' CD1' ' A' ' 126' ' ' ILE . 58.1 tptt -64.55 -42.9 95.41 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.393 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 95' ' ' ILE . 3.5 mm? -57.57 -42.06 82.32 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.336 -0.545 . . . . 0.0 109.626 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.74 -39.37 93.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.256 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.9 mmtt -63.15 -39.0 93.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.032 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.562 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.28 -41.61 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.867 -179.122 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.527 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.0 mm -61.72 -46.53 96.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.173 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.51 -43.44 90.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.042 0.449 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.592 ' NZ ' ' OE2' ' A' ' 138' ' ' GLU . 74.5 mmtt -64.25 -40.49 96.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.32 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.554 HG21 ' N ' ' A' ' 107' ' ' ASP . 20.2 tt -66.46 -32.16 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.71 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.554 ' N ' HG21 ' A' ' 106' ' ' ILE . 98.5 m-20 -62.59 -40.39 96.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.028 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -74.35 -39.5 62.74 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.176 0.513 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.645 ' CD1' ' CE1' ' A' ' 114' ' ' TYR . 1.2 pp -157.68 154.2 27.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.846 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.16 145.84 55.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.54 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.606 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 7.4 mp -62.91 -39.71 95.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.739 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.56 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 61.8 t0 -51.34 -14.67 0.3 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.569 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.461 ' HG3' HD11 ' A' ' 109' ' ' LEU . 33.5 mmtp -65.42 -37.18 86.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.3 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.712 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 70.6 m-85 -96.93 129.47 44.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.852 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.53 ' HD3' ' O ' ' A' ' 131' ' ' LYS . 78.3 ttt-85 -64.73 -43.63 92.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.984 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 118' ' ' ASN . 93.8 t80 -150.31 134.29 16.9 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.161 0.505 . . . . 0.0 111.994 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.668 ' CD1' ' SG ' ' A' ' 128' ' ' CYS . 1.3 mp -126.89 138.31 55.22 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.333 178.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.584 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 66.4 t30 -131.18 112.03 12.46 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.699 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.471 ' HA ' HG13 ' A' ' 126' ' ' ILE . . . -82.01 153.3 26.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.148 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.584 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 68.0 p -127.92 162.05 27.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.232 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.551 ' OD1' ' O ' ' A' ' 85' ' ' LYS . 87.4 m-20 -52.73 149.92 5.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.169 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.0 pp -46.17 -30.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.34 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.45 -35.06 79.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 121' ' ' ASN . 99.1 m-70 -102.21 164.94 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.567 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.584 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.2 m-20 -97.74 165.99 11.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.59 ' CD1' ' NZ ' ' A' ' 98' ' ' LYS . 18.7 tt -108.34 141.35 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.543 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -119.0 152.06 37.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.6 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.712 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 53.6 t -134.85 128.9 33.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -112.16 136.28 51.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.318 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -60.05 -49.52 77.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.761 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.581 ' HE2' ' CZ ' ' A' ' 133' ' ' PHE . 17.1 ptmt -118.04 19.14 13.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.002 0.43 . . . . 0.0 110.432 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.35 -18.88 55.39 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.581 ' CZ ' ' HE2' ' A' ' 131' ' ' LYS . 52.0 p90 -163.26 128.9 3.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 133' ' ' PHE . 6.1 mmmt 170.57 165.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.566 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.3 p -68.69 -23.04 64.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.843 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -93.8 119.29 32.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.449 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -150.7 158.46 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.592 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.592 ' OE2' ' NZ ' ' A' ' 105' ' ' LYS . 88.8 tt0 -112.91 129.44 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.191 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.2 140.85 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 110.764 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.479 ' CD1' ' HD2' ' A' ' 101' ' ' LYS . 82.9 mt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.735 0.302 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -61.88 -39.95 93.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -65.28 -39.38 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.467 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.99 96.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -62.97 -40.94 99.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.385 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 98.7 mt-10 -63.2 -39.28 94.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.495 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.49 ' SD ' ' C ' ' A' ' 30' ' ' MET . 19.4 tmm? -60.66 -44.55 96.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.548 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.25 -47.15 87.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 110.124 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -61.78 -44.1 97.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.547 ' CD2' ' CE1' ' A' ' 37' ' ' PHE . 7.8 tt -61.4 -44.53 96.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.468 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.95 -40.96 97.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.564 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.09 -43.74 95.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.702 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -60.84 -39.96 91.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.412 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.64 ' CZ ' ' CB ' ' A' ' 52' ' ' ALA . 43.3 m-85 -67.57 -33.45 75.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.991 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.89 -40.77 89.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.318 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -97.78 7.56 46.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -101.13 98.33 8.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.849 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.8 t0 -66.93 134.71 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.769 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 92.19 -1.06 72.91 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.667 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.604 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 95.0 m95 -118.36 138.0 52.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.999 0.428 . . . . 0.0 110.942 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -137.68 148.56 45.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.577 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.583 HD13 ' CD1' ' A' ' 37' ' ' PHE . 93.5 mt -118.17 137.95 52.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.501 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 70.8 m -119.15 129.7 55.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.098 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.514 ' HA ' ' OD1' ' A' ' 50' ' ' ASP . 92.7 p -67.04 -37.67 84.52 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.083 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.96 -45.27 95.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.622 ' O ' ' C ' ' A' ' 50' ' ' ASP . 24.5 mmmt -118.57 39.57 3.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.369 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.4 m-20 -8.74 77.97 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.617 0.573 . . . . 0.0 110.798 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.8 t -152.74 149.33 28.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.067 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.64 ' CB ' ' CZ ' ' A' ' 37' ' ' PHE . . . -111.35 141.87 44.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.351 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.509 ' HB2' ' OE2' ' A' ' 60' ' ' GLU . 53.3 p90 -150.31 160.05 44.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.964 0.412 . . . . 0.0 111.179 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.604 ' HE3' ' CE2' ' A' ' 43' ' ' TRP . 41.8 ttmt -119.32 129.98 55.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.957 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -94.79 126.69 40.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.951 0.405 . . . . 0.0 111.269 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.776 ' CD1' ' CZ ' ' A' ' 59' ' ' TYR . 98.1 m-85 -108.92 -14.74 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.879 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.46 -10.87 73.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -115.46 -31.98 5.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.87 0.367 . . . . 0.0 110.357 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.776 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 51.3 p90 -152.57 162.64 40.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.509 ' OE2' ' HB2' ' A' ' 53' ' ' TYR . 16.6 tm-20 -118.41 130.46 55.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.91 0.386 . . . . 0.0 111.051 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.588 HG23 ' CD1' ' A' ' 59' ' ' TYR . 44.8 pt -126.74 137.11 58.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.228 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 53' ' ' TYR . 41.2 ptt180 -140.4 157.68 45.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.434 . . . . 0.0 111.077 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.582 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 3.1 mp -115.24 149.42 37.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.167 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.6 p -148.42 164.75 33.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.941 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.587 ' OD1' ' NZ ' ' A' ' 88' ' ' LYS . 61.1 t30 -56.82 177.62 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.323 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 87' ' ' SER . 96.1 m-70 -62.0 -38.89 90.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.165 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.454 -0.251 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.66 179.556 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -126.27 157.18 38.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 0.2 OUTLIER -55.73 140.62 41.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.517 ' N ' HD11 ' A' ' 80' ' ' LEU . 1.5 mp -107.48 128.42 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.082 0.468 . . . . 0.0 110.991 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.56 HG21 ' CG1' ' A' ' 117' ' ' ILE . 48.0 t -124.46 124.82 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.551 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.528 ' HB2' ' OD1' ' A' ' 118' ' ' ASN . 85.3 m-20 -107.93 126.33 52.56 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.748 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.456 ' HB ' ' HG ' ' A' ' 63' ' ' LEU . 85.5 mt -117.62 127.69 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.468 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.531 ' HD2' ' O ' ' A' ' 65' ' ' ASN . 49.7 mmtm -95.67 128.92 42.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.646 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' HB1' ' HA ' ' A' ' 91' ' ' PHE . . . -160.22 147.7 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.773 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.587 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.5 p -73.49 161.78 30.0 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.587 ' NZ ' ' OD1' ' A' ' 65' ' ' ASN . 13.3 mptt -62.44 -41.85 99.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.604 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.85 -40.78 92.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -104.25 13.32 32.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.734 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.587 ' N ' ' O ' ' A' ' 87' ' ' SER . 88.1 t80 -59.14 -49.39 78.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.803 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.488 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 7.5 p -70.66 -33.49 53.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.588 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.04 -40.17 94.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.545 HG12 ' CG ' ' A' ' 98' ' ' LYS . 7.1 tt -65.0 -29.12 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.992 0.425 . . . . 0.0 109.955 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 99' ' ' LEU . 88.9 mt -61.42 -42.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.22 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.16 -45.03 94.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.544 ' ND2' ' HA ' ' A' ' 94' ' ' ILE . 6.0 p30 -81.56 -41.04 22.18 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.542 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.545 ' CG ' HG12 ' A' ' 94' ' ' ILE . 47.8 mmtm -64.82 -40.12 94.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.979 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.58 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 8.1 mp -62.81 -42.01 99.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.113 0.482 . . . . 0.0 109.824 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -63.65 -40.8 97.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 74.8 mmtt -63.77 -39.54 94.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.701 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.58 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 44.1 pt -74.18 -38.03 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.937 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 99' ' ' LEU . 28.4 mm -62.49 -44.77 99.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.826 0.346 . . . . 0.0 110.481 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.66 -42.73 99.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.105 0.478 . . . . 0.0 109.916 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 98.1 mttt -62.65 -39.95 95.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.512 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.593 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 77.3 mt -61.63 -47.44 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.69 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.53 -41.41 98.48 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.377 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -74.99 -36.61 61.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.306 0.574 . . . . 0.0 109.975 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 106' ' ' ILE . 2.6 pp -152.95 174.5 14.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.845 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.497 ' HB2' ' HG3' ' A' ' 113' ' ' LYS . 99.3 m-20 -95.87 126.69 41.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.054 0.454 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.532 ' CD1' HG13 ' A' ' 106' ' ' ILE . 90.5 mt -63.57 -38.26 90.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.485 ' OD1' ' HB3' ' A' ' 110' ' ' ASP . 58.9 p30 -60.76 -13.99 18.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.852 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.497 ' HG3' ' HB2' ' A' ' 110' ' ' ASP . 29.5 mtpp -64.61 -38.85 92.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.319 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.714 ' CG ' ' SG ' ' A' ' 128' ' ' CYS . 30.3 m-85 -74.42 125.07 27.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.065 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.553 ' HD3' ' CA ' ' A' ' 131' ' ' LYS . 83.1 mtp180 -63.76 -39.33 94.01 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.117 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -147.93 122.15 9.57 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.994 0.426 . . . . 0.0 111.323 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.669 ' CG2' ' SG ' ' A' ' 128' ' ' CYS . 29.8 pt -130.77 150.49 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.549 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.528 ' OD1' ' HB2' ' A' ' 83' ' ' ASN . 50.0 t30 -148.73 117.07 6.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.044 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.466 ' HA ' HG13 ' A' ' 126' ' ' ILE . . . -83.64 155.63 23.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.656 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.58 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 70.8 p -127.95 161.42 29.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.989 0.423 . . . . 0.0 110.785 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.517 ' O ' ' O ' ' A' ' 120' ' ' THR . 82.4 m-20 -40.77 167.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.127 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.94 -40.95 95.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.293 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.22 -34.41 77.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.123 0.487 . . . . 0.0 110.045 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.488 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 65.5 m170 -80.3 162.82 24.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.58 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.9 m-20 -98.18 155.56 17.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.569 ' O ' ' CG2' ' A' ' 139' ' ' VAL . 13.7 tt -108.82 135.86 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.028 0.442 . . . . 0.0 110.942 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.575 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 10.2 mptt -124.65 149.93 46.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.557 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.714 ' SG ' ' CG ' ' A' ' 114' ' ' TYR . 52.1 t -133.35 126.29 31.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.47 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -108.4 127.42 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.172 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.49 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 72.6 t80 -59.88 -48.78 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.524 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.553 ' CA ' ' HD3' ' A' ' 115' ' ' ARG . 99.5 mttt -110.93 9.16 22.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.312 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.47 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.15 -12.86 68.52 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -178.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -161.23 116.13 2.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 171.09 165.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.902 0.382 . . . . 0.0 110.769 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 96.0 m -66.76 -40.98 88.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.165 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -71.47 119.0 14.99 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.982 0.42 . . . . 0.0 110.701 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -151.4 158.42 43.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.464 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 128' ' ' CYS . 52.8 tp10 -114.4 126.17 54.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.009 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.569 ' CG2' ' O ' ' A' ' 126' ' ' ILE . 10.1 p -133.97 142.97 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.815 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.488 ' CG2' ' HZ2' ' A' ' 101' ' ' LYS . 93.3 mt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.543 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.445 ' HG2' HE21 ' A' ' 28' ' ' GLN . 79.7 ttt180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.834 0.35 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.33 -41.02 98.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.476 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.705 ' CE2' ' SD ' ' A' ' 30' ' ' MET . 91.0 t80 -59.48 -47.73 84.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.813 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.81 92.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.829 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.445 HE21 ' HG2' ' A' ' 24' ' ' ARG . 77.8 mt-30 -63.53 -39.63 94.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.432 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.515 ' CD ' HD22 ' A' ' 89' ' ' LEU . 54.4 tp10 -61.51 -42.14 98.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.395 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.705 ' SD ' ' CE2' ' A' ' 26' ' ' TYR . 98.4 mtp -62.37 -40.38 96.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.03 -47.88 84.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.06 0.457 . . . . 0.0 110.075 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -61.97 -44.2 97.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.582 ' CD2' ' CE1' ' A' ' 37' ' ' PHE . 8.8 tt -61.66 -44.47 96.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.617 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.19 -39.04 91.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.22 -44.57 95.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.46 -41.08 96.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.709 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.583 ' CD1' HD21 ' A' ' 45' ' ' LEU . 46.1 m-85 -66.2 -35.97 81.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.738 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.92 -41.99 92.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.21 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -93.89 10.01 35.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.355 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.598 ' CD2' ' CD1' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -102.36 86.25 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.646 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.24 140.24 58.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.361 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.552 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 90.25 -8.95 78.93 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.598 ' CD1' ' CD2' ' A' ' 40' ' ' LEU . 93.6 m95 -117.53 136.49 53.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.892 0.377 . . . . 0.0 110.46 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.664 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 71.3 m-85 -137.89 149.04 45.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.742 -179.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.583 HD21 ' CD1' ' A' ' 37' ' ' PHE . 2.7 mp -120.38 144.64 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.739 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -115.46 129.9 56.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.447 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.5 p -65.86 -37.78 87.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.801 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.67 -40.01 95.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.667 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.623 ' O ' ' C ' ' A' ' 50' ' ' ASP . 38.1 mtmm -116.82 38.93 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.623 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.6 p30 -5.87 75.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.658 0.599 . . . . 0.0 111.145 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.3 p -155.37 164.55 38.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.459 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB1' ' CE2' ' A' ' 37' ' ' PHE . . . -117.22 146.55 43.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.156 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.664 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.2 p90 -149.61 160.29 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.121 0.486 . . . . 0.0 111.216 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.648 ' CE ' ' CZ ' ' A' ' 56' ' ' PHE . 65.1 tttp -133.67 132.5 40.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.246 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 67.8 t0 -114.34 108.23 16.64 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.612 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.648 ' CZ ' ' CE ' ' A' ' 54' ' ' LYS . 76.1 m-85 -80.09 -11.96 59.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.049 0.452 . . . . 0.0 110.182 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.477 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 93.34 -10.92 72.6 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -109.81 -29.24 8.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.127 0.489 . . . . 0.0 109.993 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.586 ' CE1' HG21 ' A' ' 61' ' ' ILE . 51.3 p90 -155.47 161.28 40.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.329 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.525 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 89.0 tt0 -105.7 129.83 53.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.215 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.586 HG21 ' CE1' ' A' ' 59' ' ' TYR . 45.7 pt -127.32 138.75 53.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.788 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.628 ' NH2' ' ND2' ' A' ' 83' ' ' ASN . 52.5 ptt85 -136.24 156.02 49.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.074 0.464 . . . . 0.0 111.313 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.543 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 88.4 mt -113.45 140.48 48.06 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.549 ' O ' ' O ' ' A' ' 65' ' ' ASN . 48.5 t -148.2 151.34 35.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.337 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.549 ' O ' ' O ' ' A' ' 64' ' ' SER . 53.1 t30 -54.9 -144.77 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.556 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.484 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 95.6 m-70 -60.72 -39.77 89.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.414 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.204 179.494 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.581 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -129.34 158.78 38.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.748 0.308 . . . . 0.0 110.279 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.597 ' CD2' ' O ' ' A' ' 114' ' ' TYR . 0.1 OUTLIER -55.83 138.0 49.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.273 -179.779 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.535 ' N ' HD13 ' A' ' 80' ' ' LEU . 9.8 tp -129.34 135.62 61.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.582 ' CG2' ' CD1' ' A' ' 117' ' ' ILE . 57.2 t -123.0 124.57 70.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.759 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.628 ' ND2' ' NH2' ' A' ' 62' ' ' ARG . 29.2 t-20 -98.07 110.34 22.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.425 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 47.2 mm -109.96 122.9 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.803 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -87.98 136.8 32.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.423 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . . . -150.07 157.22 42.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.524 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.596 ' O ' ' N ' ' A' ' 91' ' ' PHE . 67.1 m -97.88 140.68 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 58.4 mtmt -62.55 -39.3 93.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.515 HD22 ' CD ' ' A' ' 29' ' ' GLU . 89.0 mt -62.9 -39.75 95.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.542 ' ND2' ' HB3' ' A' ' 93' ' ' ASP . 57.0 t30 -127.07 37.8 4.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.806 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.596 ' N ' ' O ' ' A' ' 87' ' ' SER . 19.3 p90 -66.59 -31.9 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.263 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 93' ' ' ASP . 7.8 p -71.44 -43.71 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.542 ' HB3' ' ND2' ' A' ' 90' ' ' ASN . 67.3 t0 -62.65 -42.04 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.754 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 95' ' ' ILE . 14.2 tt -59.51 -29.3 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.528 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.587 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 30.7 mm -61.86 -44.29 98.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.0 111.018 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.49 -40.79 97.83 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 31.8 m120 -84.99 -49.89 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.86 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.553 ' O ' HG12 ' A' ' 102' ' ' ILE . 30.3 mmmt -64.73 -41.0 96.27 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.477 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.587 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 8.5 tt -61.69 -40.16 94.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.066 0.46 . . . . 0.0 109.954 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -60.93 -38.49 86.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.349 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 50.0 mmtm -62.66 -40.02 95.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.071 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.555 ' CD1' ' N ' ' A' ' 102' ' ' ILE . 0.3 OUTLIER -77.24 -39.63 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -178.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 106' ' ' ILE . 33.3 mm -61.59 -46.08 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.501 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -65.5 -42.48 92.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.051 0.453 . . . . 0.0 110.466 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.5 mtpt -63.47 -40.91 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.251 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.559 HG22 ' N ' ' A' ' 107' ' ' ASP . 18.0 tt -66.3 -28.45 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.77 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.559 ' N ' HG22 ' A' ' 106' ' ' ILE . 98.4 m-20 -61.92 -39.71 92.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.512 ' C ' HD13 ' A' ' 109' ' ' LEU . 58.7 mtmt -73.45 -37.37 65.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.004 0.43 . . . . 0.0 110.056 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.616 ' CD2' ' C ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -152.1 168.01 26.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.954 -179.811 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -81.55 143.41 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.585 HD12 ' CE2' ' A' ' 59' ' ' TYR . 94.8 mt -67.35 -29.79 69.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.457 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.503 ' O ' HD21 ' A' ' 80' ' ' LEU . 98.5 m-20 -61.95 -19.11 62.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.031 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.46 ' HD2' ' HB2' ' A' ' 109' ' ' LEU . 68.4 mttm -64.47 -38.52 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 110.365 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.706 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 26.7 m-85 -80.81 118.71 22.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.98 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.541 ' CG ' ' HA ' ' A' ' 131' ' ' LYS . 27.9 mmm180 -63.36 -39.81 95.55 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -150.33 120.87 7.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.876 0.37 . . . . 0.0 111.073 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.669 ' CG2' ' SG ' ' A' ' 128' ' ' CYS . 31.7 pt -128.66 150.37 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.71 178.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.533 ' OD1' ' HB3' ' A' ' 83' ' ' ASN . 48.4 t30 -148.42 112.35 5.14 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.648 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.537 ' HB3' ' NZ ' ' A' ' 98' ' ' LYS . . . -90.04 156.28 18.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.011 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.578 ' O ' ' O ' ' A' ' 121' ' ' ASN . 69.1 p -124.59 161.51 26.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.578 ' O ' ' O ' ' A' ' 120' ' ' THR . 83.6 m-20 -39.34 170.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.779 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.58 -39.95 89.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.571 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.58 -34.42 77.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.057 0.456 . . . . 0.0 109.79 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.559 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 80.1 m80 -81.3 164.57 22.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.46 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.569 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.8 m-20 -97.58 160.35 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.352 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.508 ' O ' HG21 ' A' ' 139' ' ' VAL . 17.9 tt -108.95 141.92 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.021 0.438 . . . . 0.0 110.81 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.73 ' NZ ' ' CZ ' ' A' ' 129' ' ' TYR . 11.2 ptmm? -135.55 150.33 49.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.657 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.706 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 51.4 t -135.24 129.01 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.98 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.73 ' CZ ' ' NZ ' ' A' ' 127' ' ' LYS . 22.1 m-30 -110.61 129.92 55.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.59 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 71.1 t80 -60.75 -49.15 78.66 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.484 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.59 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 99.5 mttt -116.84 3.82 12.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.92 0.391 . . . . 0.0 110.38 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.441 ' HA2' ' CB ' ' A' ' 129' ' ' TYR . . . 92.5 -14.94 63.56 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.559 ' O ' ' HB3' ' A' ' 134' ' ' LYS . 87.0 t80 -162.53 115.09 1.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.616 ' N ' ' CE ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER 171.83 166.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.195 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 82.8 p -68.7 -18.06 64.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.379 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.444 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 25.4 ttmm -94.1 117.26 29.85 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.14 0.495 . . . . 0.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' A' ' 137' ' ' LYS . 9.2 ptpp? -150.81 158.32 44.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.373 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -125.52 129.38 49.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.359 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 126' ' ' ILE . 13.2 p -137.89 142.73 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.693 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.484 ' N ' HG22 ' A' ' 139' ' ' VAL . 86.9 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.556 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.625 0.25 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.03 -44.15 94.81 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.314 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -67.95 -36.33 79.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.356 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.96 91.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -63.27 -39.73 95.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.263 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.579 ' OE2' ' CD1' ' A' ' 33' ' ' LEU . 16.7 tm-20 -61.85 -40.42 95.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.189 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 60.7 ttm -60.49 -44.54 95.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.457 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.15 -39.77 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.298 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.86 -38.83 92.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.362 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.579 ' CD1' ' OE2' ' A' ' 29' ' ' GLU . 87.5 mt -61.86 -39.4 91.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.24 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.3 -39.96 94.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.298 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.41 -40.11 95.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.383 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.36 -39.89 92.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.3 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.624 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 71.1 t80 -58.58 -48.38 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.286 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.97 -38.23 87.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.464 ' C ' HD21 ' A' ' 40' ' ' LEU . 34.3 m120 -94.53 5.84 50.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.596 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 3.3 mm? -114.45 103.39 11.0 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.889 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -68.03 128.02 34.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.832 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 80.22 16.69 75.84 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.061 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.624 ' O ' ' CE1' ' A' ' 37' ' ' PHE . 93.7 m95 -118.43 138.28 52.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.993 0.396 . . . . 0.0 110.799 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.586 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 77.5 m-85 -136.86 144.33 43.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.501 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.533 HD22 ' CB ' ' A' ' 52' ' ' ALA . 92.0 mt -121.2 135.7 55.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.821 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.5 p -120.46 137.23 54.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.393 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.4 p -69.43 -37.08 77.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.99 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.455 ' HE3' ' HG3' ' A' ' 49' ' ' LYS . 67.2 ttp -60.89 -45.64 93.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.634 ' O ' ' C ' ' A' ' 50' ' ' ASP . 69.0 mttm -115.87 38.29 3.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.1 t0 -4.48 75.0 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.611 0.569 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.596 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.0 p -155.25 167.15 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -108.49 135.54 49.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.633 ' CD2' ' OE2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -110.16 136.92 48.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.481 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.608 ' HE3' ' CE2' ' A' ' 43' ' ' TRP . 10.6 ttmt -132.93 120.07 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.642 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.562 ' OD1' ' OE1' ' A' ' 60' ' ' GLU . 98.0 m-20 -104.5 122.66 46.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.758 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.578 ' CE1' ' HE2' ' A' ' 54' ' ' LYS . 1.4 m-30 -113.14 -13.78 12.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.323 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.18 -10.76 73.1 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.176 -1.169 . . . . 0.0 110.176 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 39.8 ttmt -113.04 -41.55 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.097 0.475 . . . . 0.0 110.045 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.498 ' CE1' HG22 ' A' ' 61' ' ' ILE . 53.5 p90 -153.41 160.82 42.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.468 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.633 ' OE2' ' CD2' ' A' ' 53' ' ' TYR . 52.2 tp10 -115.33 131.82 56.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.921 0.391 . . . . 0.0 111.001 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.53 ' CD1' ' HD2' ' A' ' 54' ' ' LYS . 48.8 pt -127.31 136.94 59.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.137 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.628 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 20.4 ptp180 -140.28 159.16 42.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.65 ' CD2' ' CE1' ' A' ' 91' ' ' PHE . 2.5 mp -111.96 147.4 35.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.931 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.544 ' O ' ' O ' ' A' ' 65' ' ' ASN . 43.0 t -146.76 147.86 31.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.544 ' O ' ' O ' ' A' ' 64' ' ' SER . 50.8 t30 -55.9 -149.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.893 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.464 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 86.6 t60 -59.6 -47.19 86.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' A' ' 64' ' ' SER . 40.3 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.486 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.527 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 45.7 ptt85 -134.76 161.02 36.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' A' ' 80' ' ' LEU . 2.5 mm? -77.13 146.64 37.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.783 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.446 HG12 HH12 ' A' ' 79' ' ' ARG . 85.9 mt -119.47 129.69 74.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.847 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.525 HG22 ' CD1' ' A' ' 117' ' ' ILE . 68.2 t -109.96 123.57 65.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.26 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.57 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 98.6 m-20 -106.04 120.02 40.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.748 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.519 ' CD1' ' HD2' ' A' ' 98' ' ' LYS . 3.8 mp -119.7 125.11 74.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.428 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -101.69 130.66 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.591 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -159.56 152.52 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.642 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.552 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 40.4 t -65.45 139.7 58.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.266 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.517 ' HD3' ' OE1' ' A' ' 29' ' ' GLU . 19.3 ptpt -61.42 -28.32 69.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.599 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 29' ' ' GLU . 88.3 mt -64.09 -39.57 94.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.552 ' OD1' ' O ' ' A' ' 87' ' ' SER . 55.3 p30 -103.33 23.28 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.51 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.65 ' CE1' ' CD2' ' A' ' 63' ' ' LEU . 80.5 t80 -58.78 -49.12 78.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.06 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.574 ' O ' ' OE1' ' A' ' 96' ' ' GLU . 68.3 t -62.06 -47.1 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.12 0.486 . . . . 0.0 110.603 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.05 -39.68 93.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.54 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.53 HG21 ' O ' ' A' ' 91' ' ' PHE . 4.3 tp -64.38 -29.84 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.014 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.55 HG23 ' N ' ' A' ' 96' ' ' GLU . 14.4 tt -62.81 -37.29 78.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.103 -178.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.574 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 53.6 mp0 -65.16 -44.53 88.25 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.18 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.558 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 58.8 t-20 -74.91 -44.62 47.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.331 . . . . 0.0 111.476 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.56 ' NZ ' ' CD1' ' A' ' 63' ' ' LEU . 39.6 ttpt -64.03 -43.54 95.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.034 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 95' ' ' ILE . 4.9 mp -56.7 -39.97 74.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.087 0.47 . . . . 0.0 109.905 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.42 -38.47 89.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.61 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.609 ' O ' ' NZ ' ' A' ' 105' ' ' LYS . 32.1 mmmt -61.8 -44.16 97.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.248 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 98' ' ' LYS . 2.0 mm -75.18 -41.21 44.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.707 -178.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 106' ' ' ILE . 32.8 mm -61.89 -45.02 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.636 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.58 -44.63 90.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.721 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.609 ' NZ ' ' O ' ' A' ' 101' ' ' LYS . 37.1 mtmm -63.77 -41.2 98.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.09 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.549 HG21 ' N ' ' A' ' 107' ' ' ASP . 17.5 tt -70.42 -32.68 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.78 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.549 ' N ' HG21 ' A' ' 106' ' ' ILE . 98.4 m-20 -62.08 -40.43 95.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.22 -36.64 17.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.472 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 105' ' ' LYS . 1.0 OUTLIER -157.21 144.87 18.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.782 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.417 ' HB2' ' HZ2' ' A' ' 113' ' ' LYS . 98.7 m-20 -68.48 148.9 49.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 111' ' ' LEU . 10.9 mp -71.24 -11.82 61.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.109 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.536 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 65.9 t0 -59.56 -34.48 72.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.756 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.529 ' HD2' ' N ' ' A' ' 113' ' ' LYS . 14.1 mptt -64.93 -22.29 66.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.701 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.554 ' OH ' ' OE1' ' A' ' 138' ' ' GLU . 53.0 m-85 -97.17 111.73 23.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.491 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.542 ' HB3' ' N ' ' A' ' 132' ' ' GLY . 0.0 OUTLIER -63.16 -43.5 98.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.277 179.77 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 118' ' ' ASN . 93.1 t80 -129.08 126.69 39.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.525 ' CD1' HG22 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -127.53 133.08 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.397 179.76 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.57 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 65.6 t30 -146.45 112.13 5.62 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.341 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.472 ' HA ' HG13 ' A' ' 126' ' ' ILE . . . -82.43 152.95 25.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.342 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.585 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 40.0 p -122.97 161.46 24.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.253 -179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.566 ' O ' ' O ' ' A' ' 120' ' ' THR . 22.1 m120 -40.54 171.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.13 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.53 -40.29 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.141 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.02 -34.62 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.135 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.494 ' C ' ' OG1' ' A' ' 120' ' ' THR . 79.7 m80 -87.98 158.53 18.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.585 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.2 m-20 -99.06 168.82 9.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.517 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 118' ' ' ASN . 17.7 tt -108.04 133.29 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.045 0.45 . . . . 0.0 110.409 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.44 ' HG2' ' HB ' ' A' ' 139' ' ' VAL . 46.0 mttm -128.41 145.36 51.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.695 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 31.5 p -136.99 164.26 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.474 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.8 m-85 -117.73 140.26 49.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.241 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -60.06 -49.26 78.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.728 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -117.63 11.64 13.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.483 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.542 ' N ' ' HB3' ' A' ' 115' ' ' ARG . . . 93.96 -15.28 63.48 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.525 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.5 t80 -161.78 116.17 1.93 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 65.0 tttp 174.21 158.88 0.16 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.328 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.455 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 13.1 t -68.23 -7.49 30.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.606 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.456 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 60.3 tptt -101.75 120.68 40.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.967 0.413 . . . . 0.0 110.778 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -150.69 158.78 44.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.343 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.554 ' OE1' ' OH ' ' A' ' 114' ' ' TYR . 99.0 mt-10 -123.77 143.34 50.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 10.5 p -141.07 141.26 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.652 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.495 ' CG2' ' HZ2' ' A' ' 101' ' ' LYS . 90.2 mt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.608 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.73 0.3 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.19 -40.16 95.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.8 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.36 -49.23 78.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.496 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.81 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.648 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -62.38 -41.81 98.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.511 ' CD ' HD12 ' A' ' 89' ' ' LEU . 98.2 mt-10 -63.12 -40.32 97.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.4 -41.11 98.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.57 -41.1 98.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.566 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.441 ' NH2' ' HB ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -62.27 -43.47 98.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.36 179.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.408 HD22 ' HG2' ' A' ' 88' ' ' LYS . 61.6 tp -62.23 -42.75 99.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.526 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.89 -39.5 92.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.764 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.1 -46.63 88.97 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.288 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.596 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . -62.69 -40.55 97.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.294 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.439 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 89.3 t80 -58.62 -46.86 86.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.307 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.51 -39.28 90.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.101 0.477 . . . . 0.0 110.116 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.583 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 31.2 p30 -96.36 13.4 27.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.642 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.596 ' CD1' ' O ' ' A' ' 36' ' ' ALA . 1.7 mp -109.87 84.35 1.91 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.533 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.465 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 99.1 m-20 -63.89 140.79 58.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.615 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 75.41 19.42 79.45 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.658 ' CZ3' ' NZ ' ' A' ' 54' ' ' LYS . 76.1 m95 -118.31 132.2 56.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.809 0.338 . . . . 0.0 110.685 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 72.8 m-85 -138.11 128.49 26.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.484 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.532 ' HA ' ' O ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -138.52 155.13 48.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.951 0.405 . . . . 0.0 111.233 179.639 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -120.3 131.69 55.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.302 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.8 t -61.29 -43.0 99.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.77 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.2 tpt -60.6 -44.33 96.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.957 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.8 mtmt -107.42 38.52 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.698 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.605 ' C ' ' O ' ' A' ' 49' ' ' LYS . 97.4 m-20 -4.54 73.12 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.639 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.608 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.4 t -151.26 141.98 22.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.148 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' ' 62' ' ' ARG . . . -121.57 145.81 47.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.468 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.2 p90 -148.44 160.58 42.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.658 ' NZ ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -126.06 146.67 49.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.663 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.572 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 53.3 p-10 -114.47 108.46 16.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 99.0 m-85 -97.34 -6.75 33.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.157 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.6 74.67 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.525 ' O ' ' HD2' ' A' ' 79' ' ' ARG . 99.7 mttt -115.41 -28.42 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.651 ' CZ ' HD23 ' A' ' 111' ' ' LEU . 52.4 p90 -157.97 161.03 38.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.996 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 89.0 tt0 -114.76 125.6 53.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.588 HG23 ' CD1' ' A' ' 59' ' ' TYR . 47.1 pt -130.81 137.9 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.451 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.508 ' C ' HD13 ' A' ' 63' ' ' LEU . 20.1 ptp180 -140.12 157.13 46.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 111.08 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.552 HD12 ' NZ ' ' A' ' 54' ' ' LYS . 8.6 mp -112.45 133.2 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.254 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 67.1 m -133.03 177.38 7.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.55 ' OD1' ' N ' ' A' ' 67' ' ' SER . 47.6 p30 -72.15 -169.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.458 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 32.4 p80 -56.36 -24.55 44.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.504 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.55 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 78.7 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.962 0.41 . . . . 0.0 110.248 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.466 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.525 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 22.8 tpp85 -127.2 150.31 49.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.582 ' CD2' ' O ' ' A' ' 114' ' ' TYR . 0.1 OUTLIER -54.97 128.48 33.71 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.319 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 79' ' ' ARG . 89.2 mt -119.28 130.99 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.431 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.604 ' CG2' ' CD1' ' A' ' 117' ' ' ILE . 59.9 t -114.28 122.6 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.647 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.557 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 33.0 m120 -104.65 119.45 39.03 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.638 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 86.4 mt -123.35 128.11 74.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.807 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 64' ' ' SER . 99.3 mttt -76.75 136.15 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.706 -0.398 . . . . 0.0 109.967 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.528 ' CB ' HG21 ' A' ' 94' ' ' ILE . . . -153.78 159.44 41.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.046 0.451 . . . . 0.0 111.125 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.7 t -119.47 147.93 43.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.982 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' HG2' HD22 ' A' ' 33' ' ' LEU . 98.2 mttt -60.71 -40.46 92.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.64 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.511 HD12 ' CD ' ' A' ' 29' ' ' GLU . 7.6 mp -63.87 -39.94 95.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 110.417 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -110.23 23.8 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.583 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.594 ' N ' ' O ' ' A' ' 87' ' ' SER . 93.3 t80 -58.4 -48.52 80.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.74 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.549 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 58.3 t -62.33 -43.59 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 110.274 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -62.52 -43.65 98.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.681 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.589 ' CD1' ' NZ ' ' A' ' 98' ' ' LYS . 6.3 tp -64.36 -36.42 77.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.105 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 43.9 pt -73.19 -25.96 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.504 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -64.05 -43.72 94.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.636 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -88.5 -45.73 9.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.431 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.609 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -64.48 -40.82 96.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.38 -179.313 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.584 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 8.5 tt -68.24 -40.91 81.86 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.654 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.3 -41.54 96.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.608 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.609 ' CG ' ' O ' ' A' ' 98' ' ' LYS . 39.5 pttt -61.93 -32.39 72.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.024 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.584 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 99.1 mt -68.48 -44.42 83.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.098 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.485 HG21 HD13 ' A' ' 103' ' ' ILE . 34.9 mm -62.11 -47.61 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.37 -44.93 93.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.623 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.579 ' O ' ' O ' ' A' ' 109' ' ' LEU . 41.2 ttmt -62.03 -45.16 94.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.403 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 79.6 mt -62.02 -42.61 95.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.555 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.05 -38.54 83.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.688 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -94.1 -27.69 16.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.164 0.507 . . . . 0.0 109.993 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.586 ' CD2' ' OH ' ' A' ' 114' ' ' TYR . 24.8 tp -154.88 129.06 8.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.003 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.55 141.08 57.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.632 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.651 HD23 ' CZ ' ' A' ' 59' ' ' TYR . 3.0 pp -77.08 -16.27 59.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.35 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.478 ' OD1' ' HB3' ' A' ' 59' ' ' TYR . 97.9 m-20 -70.17 -15.3 62.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.273 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.487 ' HG3' ' CD1' ' A' ' 109' ' ' LEU . 75.1 mmtt -65.13 -38.44 90.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.173 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.705 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 4.6 m-85 -79.01 118.09 20.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.254 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.537 ' CG ' ' HA ' ' A' ' 131' ' ' LYS . 6.6 mmp_? -63.27 -39.91 95.93 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.382 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -146.24 120.65 9.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.856 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.664 ' CG2' ' SG ' ' A' ' 128' ' ' CYS . 38.3 pt -130.92 148.42 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.297 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.557 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 50.7 t30 -149.26 116.21 5.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.606 ' CB ' ' NZ ' ' A' ' 101' ' ' LYS . . . -99.06 125.67 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.187 0.517 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.595 ' OG1' ' CB ' ' A' ' 124' ' ' HIS . 72.1 p -82.66 162.91 21.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.701 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.547 ' O ' ' O ' ' A' ' 120' ' ' THR . 99.2 m-20 -42.21 174.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.709 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.452 HD23 ' HE3' ' A' ' 98' ' ' LYS . 87.8 mt -61.03 -40.32 93.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.2 -34.79 78.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.1 0.476 . . . . 0.0 109.941 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.595 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 79.7 m80 -85.14 164.99 17.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.224 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.558 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.9 m-20 -97.65 158.64 15.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 111.006 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -108.96 130.02 62.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.947 -179.412 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.579 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 10.0 mptt -120.46 151.61 39.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.353 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.705 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 51.4 t -131.96 129.25 39.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.594 ' CE2' ' HD3' ' A' ' 137' ' ' LYS . 97.5 m-85 -107.91 130.5 55.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.845 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -59.3 -50.27 74.65 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.399 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.562 ' NZ ' ' HD3' ' A' ' 134' ' ' LYS . 3.1 pttm -119.46 19.1 12.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.131 0.491 . . . . 0.0 109.796 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.472 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.96 -13.43 67.68 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.016 -1.233 . . . . 0.0 110.016 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 87.9 t80 -162.54 116.9 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.562 ' HD3' ' NZ ' ' A' ' 131' ' ' LYS . 35.1 ttpt 176.28 164.05 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.884 0.374 . . . . 0.0 110.855 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.425 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 10.9 t -68.5 -23.97 64.62 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.796 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.523 ' HB3' ' CE ' ' A' ' 134' ' ' LYS . 23.9 tptm -90.45 115.38 27.57 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.996 0.427 . . . . 0.0 110.578 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.594 ' HD3' ' CE2' ' A' ' 129' ' ' TYR . 56.0 mtmt -142.71 154.75 44.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.486 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.556 ' OE1' ' OH ' ' A' ' 114' ' ' TYR . 99.3 mt-10 -115.24 142.05 47.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.319 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.53 ' O ' ' CD1' ' A' ' 140' ' ' ILE . 11.1 p -130.86 140.75 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.973 0.416 . . . . 0.0 110.687 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.53 ' CD1' ' O ' ' A' ' 139' ' ' VAL . 25.6 mm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.518 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HD3' ' C ' ' A' ' 24' ' ' ARG . 4.7 tmt_? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.622 0.249 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 54.5 tp10 -60.28 -44.11 95.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.573 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -69.57 -39.77 77.16 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.653 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.85 97.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.13 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 5.2 pp0? -73.6 -25.45 60.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.471 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.507 ' OE2' ' HA ' ' A' ' 89' ' ' LEU . 54.0 tp10 -62.06 -42.91 99.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.562 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.1 mmm -62.96 -40.48 97.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.92 -40.71 96.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.423 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -61.61 -44.36 97.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.421 179.677 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD12 ' CD2' ' A' ' 91' ' ' PHE . 62.6 tp -61.56 -44.65 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.637 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.86 -39.42 94.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -60.63 -43.94 96.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.516 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.18 -40.03 92.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.66 ' CE2' ' CB ' ' A' ' 52' ' ' ALA . 41.5 m-85 -65.94 -35.26 80.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.044 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.582 ' OE1' ' OD1' ' A' ' 39' ' ' ASN . 16.7 tm-20 -59.86 -39.44 85.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.13 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.582 ' OD1' ' OE1' ' A' ' 38' ' ' GLU . 98.0 m-20 -97.88 8.68 44.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -104.88 82.78 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.795 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.05 141.61 58.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.448 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.559 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 92.06 -4.59 78.11 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.581 -0.607 . . . . 0.0 111.581 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.594 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 95.0 m95 -116.71 138.4 51.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 110.358 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 65.9 m-85 -135.62 147.76 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.715 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.583 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 2.7 mp -120.07 143.88 47.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.75 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.535 ' OG ' ' HG3' ' A' ' 49' ' ' LYS . 88.3 p -120.69 140.18 51.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.951 0.405 . . . . 0.0 110.625 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -68.1 -38.96 82.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.673 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 tpt -59.11 -46.21 88.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.105 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.611 ' O ' ' N ' ' A' ' 51' ' ' SER . 7.2 ptpp? -121.06 54.42 1.09 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.204 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.602 ' C ' ' O ' ' A' ' 49' ' ' LYS . 59.1 p30 -15.74 82.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.611 ' N ' ' O ' ' A' ' 49' ' ' LYS . 97.0 p -155.57 164.19 38.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.561 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.66 ' CB ' ' CE2' ' A' ' 37' ' ' PHE . . . -126.06 141.88 51.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.54 ' HB3' ' CB ' ' A' ' 62' ' ' ARG . 52.2 p90 -151.67 160.84 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.022 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.594 ' HE2' ' CE2' ' A' ' 43' ' ' TRP . 34.3 ttpt -133.23 136.36 45.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.784 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -98.6 129.8 45.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.037 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.585 ' CZ ' ' HE3' ' A' ' 54' ' ' LYS . 97.7 m-85 -101.48 -4.34 26.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.12 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.9 -10.76 72.77 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 57.8 mtmt -115.54 -32.3 5.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.952 0.406 . . . . 0.0 110.538 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.655 ' CZ ' HD12 ' A' ' 106' ' ' ILE . 53.8 p90 -154.91 161.53 41.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.422 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.532 ' HG2' ' CD1' ' A' ' 81' ' ' ILE . 88.9 tt0 -113.99 129.33 56.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.942 0.401 . . . . 0.0 110.963 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.58 HG21 ' CD1' ' A' ' 59' ' ' TYR . 48.1 pt -127.8 138.45 54.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.01 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.654 ' CZ ' ' ND2' ' A' ' 83' ' ' ASN . 51.6 ptt85 -138.81 158.95 43.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.017 0.437 . . . . 0.0 111.158 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.577 HD13 ' CE1' ' A' ' 91' ' ' PHE . 84.1 mt -109.15 144.58 37.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.192 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 91.2 p -147.29 164.09 34.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -56.85 169.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.791 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.502 ' O ' ' HD3' ' A' ' 85' ' ' LYS . 62.1 m170 -61.27 -38.59 87.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.739 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.159 179.492 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 58' ' ' LYS . 56.9 mmm-85 -129.55 155.38 45.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.297 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 114' ' ' TYR . 3.8 mm? -56.36 141.12 43.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.263 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.532 ' CD1' ' HG2' ' A' ' 60' ' ' GLU . 11.1 tp -131.18 141.92 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.535 ' CG1' HG22 ' A' ' 117' ' ' ILE . 95.9 t -117.46 125.15 73.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.226 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.654 ' ND2' ' CZ ' ' A' ' 62' ' ' ARG . 32.7 m120 -101.71 126.01 48.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.647 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.546 ' HB ' ' CD2' ' A' ' 63' ' ' LEU . 84.5 mt -121.95 126.8 74.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.502 ' HD3' ' O ' ' A' ' 66' ' ' HIS . 64.3 mttp -85.25 131.35 34.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.633 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -157.95 140.26 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.5 p -74.28 159.73 32.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.355 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -63.65 -40.73 97.59 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.689 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.507 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 9.6 tt -63.12 -44.56 95.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.75 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.482 ' CG ' HD21 ' A' ' 89' ' ' LEU . 33.7 m120 -104.87 16.86 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.512 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' A' ' 87' ' ' SER . 90.1 t80 -58.96 -49.3 78.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.496 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.544 ' O ' HG21 ' A' ' 95' ' ' ILE . 34.0 m -73.34 -35.56 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.743 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.81 -40.0 93.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.654 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 91' ' ' PHE . 6.1 tt -65.94 -28.78 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.108 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.576 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 5.3 tp -57.3 -39.76 69.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.476 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.555 ' N ' HG21 ' A' ' 95' ' ' ILE . 88.9 tt0 -63.29 -49.41 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.606 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.512 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 99.4 m-20 -70.81 -39.3 73.14 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.88 0.371 . . . . 0.0 111.555 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.532 ' HG2' ' CD1' ' A' ' 84' ' ' ILE . 0.7 OUTLIER -67.25 -36.25 81.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.088 -179.179 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.576 ' CD1' ' O ' ' A' ' 95' ' ' ILE . 3.5 mp -57.17 -43.76 82.9 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.224 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.27 -38.36 90.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.205 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 35.2 mmtp -64.91 -39.35 93.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.439 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.54 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 45.5 pt -77.17 -36.33 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.103 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 99' ' ' LEU . 87.5 mt -62.18 -45.7 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.585 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 88.8 tt0 -63.27 -42.4 99.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.112 0.482 . . . . 0.0 110.045 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.571 ' O ' ' O ' ' A' ' 109' ' ' LEU . 58.3 mtmt -63.87 -40.26 96.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.655 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -73.33 -44.1 55.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.931 -179.283 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.585 ' OD1' ' O ' ' A' ' 104' ' ' GLU . 56.6 p30 -77.88 -4.32 46.13 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.632 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.528 ' HG2' ' OD1' ' A' ' 107' ' ' ASP . 31.7 mmmt -113.17 -32.28 6.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.189 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.582 ' CD2' ' OE1' ' A' ' 138' ' ' GLU . 2.4 pp -157.13 132.5 9.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.7 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.09 146.01 51.23 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.38 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.591 HD12 ' CG ' ' A' ' 59' ' ' TYR . 96.5 mt -79.3 -13.05 59.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.031 0.443 . . . . 0.0 110.265 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.22 -37.83 81.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.364 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -64.33 -39.3 93.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.511 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.559 ' OH ' ' OE1' ' A' ' 138' ' ' GLU . 93.6 m-85 -78.9 149.99 32.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.586 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.537 ' HB2' ' N ' ' A' ' 132' ' ' GLY . 41.6 mmt180 -104.56 -29.34 10.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.239 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.47 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 90.5 t80 -147.63 127.99 13.95 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.242 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.559 HG13 ' CB ' ' A' ' 128' ' ' CYS . 1.4 mp -126.4 138.37 54.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.049 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.418 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 67.0 t30 -137.59 111.3 8.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.46 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.451 ' CB ' HG12 ' A' ' 84' ' ' ILE . . . -101.13 132.77 46.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.662 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.612 ' CG2' ' CB ' ' A' ' 124' ' ' HIS . 14.8 m -97.32 162.52 13.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.115 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.609 ' O ' ' O ' ' A' ' 120' ' ' THR . 55.4 t30 -37.95 173.57 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.227 0.537 . . . . 0.0 111.674 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.503 ' CD1' HD21 ' A' ' 97' ' ' ASN . 86.6 mt -60.26 -39.52 87.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.437 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.12 -33.84 76.97 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CB ' ' CG2' ' A' ' 120' ' ' THR . 80.2 m80 -89.68 165.12 14.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.712 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -98.18 171.02 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.74 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.593 ' CD1' ' C ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -107.97 137.04 41.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.002 -179.556 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.535 ' HG2' ' CG2' ' A' ' 139' ' ' VAL . 98.5 mttt -125.77 150.66 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.752 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 138' ' ' GLU . 30.3 p -135.91 156.09 49.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.446 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.7 m-85 -118.18 133.22 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.028 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.466 ' HD2' ' HG3' ' A' ' 131' ' ' LYS . 77.4 t80 -60.05 -49.14 78.85 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.704 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.538 ' HD2' ' CE ' ' A' ' 134' ' ' LYS . 99.0 mttt -105.07 7.27 33.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 110.096 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.537 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 94.82 -15.61 63.0 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.0 t80 -160.92 115.47 2.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 23.4 ttmm 173.41 164.97 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.543 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.523 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 96.2 m -66.45 -40.98 89.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.081 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -69.0 121.37 16.49 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.015 0.436 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 19.5 ptpt -151.34 158.96 44.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.412 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.591 ' HB3' ' SG ' ' A' ' 128' ' ' CYS . 88.8 tt0 -117.76 126.87 53.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.898 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.535 ' CG2' ' HG2' ' A' ' 127' ' ' LYS . 88.5 t -119.83 127.84 75.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.533 ' CD1' ' HD3' ' A' ' 105' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.713 0.292 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.26 -42.23 98.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.412 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -64.73 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.56 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.18 91.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.575 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -62.98 -39.88 96.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.403 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 88' ' ' LYS . 54.5 tp10 -62.03 -42.18 98.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.541 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -62.41 -40.33 96.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.74 -40.13 94.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.368 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.36 -43.78 98.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.533 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.63 -39.85 95.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.29 -40.62 96.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.387 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.29 -44.44 97.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.082 0.467 . . . . 0.0 109.83 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.71 -38.07 86.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.279 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' HB2' ' CD1' ' A' ' 45' ' ' LEU . 93.7 t80 -58.22 -47.28 84.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.357 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.592 ' OE1' ' ND2' ' A' ' 39' ' ' ASN . 16.7 tm-20 -59.55 -40.36 86.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.919 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.592 ' ND2' ' OE1' ' A' ' 38' ' ' GLU . 34.5 m120 -99.17 12.58 35.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.98 0.419 . . . . 0.0 110.31 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 43' ' ' TRP . 1.2 mt -94.08 77.08 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.414 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -67.57 129.05 38.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 83.08 2.3 90.58 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.593 ' CD1' HD21 ' A' ' 40' ' ' LEU . 93.4 m95 -119.15 144.16 46.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.659 0.266 . . . . 0.0 110.713 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.472 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 80.2 m-85 -131.99 143.74 50.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.646 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD1' ' HB2' ' A' ' 37' ' ' PHE . 92.0 mt -115.03 135.28 54.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.648 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.515 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 40.4 t -120.51 128.28 52.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.138 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.448 ' HA ' ' OD1' ' A' ' 50' ' ' ASP . 48.0 t -63.45 -45.15 92.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.3 tpt -61.09 -44.36 97.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.358 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.624 ' O ' ' N ' ' A' ' 51' ' ' SER . 75.5 mmtt -112.66 38.7 2.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.378 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' LYS . 97.4 m-20 -13.56 79.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.628 0.58 . . . . 0.0 111.078 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.7 t -156.71 147.51 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.062 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.494 ' O ' ' HA ' ' A' ' 62' ' ' ARG . . . -113.29 140.04 48.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.712 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 53.7 p90 -148.44 159.04 44.43 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.322 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.64 ' CD ' ' CZ ' ' A' ' 56' ' ' PHE . 41.1 ttmt -117.0 126.65 53.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.894 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -101.29 104.8 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.737 ' CD1' ' CZ ' ' A' ' 59' ' ' TYR . 70.9 m-85 -86.83 -10.98 52.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 109.952 178.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.94 -9.58 77.4 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm -112.68 -30.56 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.277 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.737 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 55.1 p90 -153.99 161.67 41.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -117.42 129.08 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.14 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.585 HG21 ' CE1' ' A' ' 59' ' ' TYR . 48.2 pt -126.08 136.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.6 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.512 HH21 ' CB ' ' A' ' 51' ' ' SER . 8.9 ptm180 -140.81 155.64 46.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.535 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.538 ' CD2' ' CG2' ' A' ' 84' ' ' ILE . 89.1 mt -112.96 127.6 56.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.129 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.538 ' O ' ' O ' ' A' ' 65' ' ' ASN . 70.4 m -137.51 160.03 40.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.538 ' O ' ' O ' ' A' ' 64' ' ' SER . 51.7 t30 -55.84 -145.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.738 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.49 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 52.1 p-80 -59.95 -24.72 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--N 1.328 -0.353 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.479 179.611 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -132.61 159.37 39.73 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.571 ' CD1' ' O ' ' A' ' 115' ' ' ARG . 3.6 mm? -56.04 141.37 40.33 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.34 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.6 mt -116.44 128.06 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.54 HG21 ' CD1' ' A' ' 117' ' ' ILE . 66.9 t -117.54 124.39 72.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.298 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -101.75 123.13 45.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.167 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.538 ' CG2' ' CD2' ' A' ' 63' ' ' LEU . 86.0 mt -118.86 127.48 75.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.036 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -102.74 130.61 49.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.469 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -157.13 153.94 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.538 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.456 ' HB2' ' HB2' ' A' ' 90' ' ' ASN . 69.2 m -69.76 150.78 46.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.271 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 68.5 mttm -61.57 -39.72 92.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.53 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.572 ' CD1' ' OD1' ' A' ' 90' ' ' ASN . 3.0 pp -75.41 -20.16 59.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.335 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.572 ' OD1' ' CD1' ' A' ' 89' ' ' LEU . 98.5 m-20 -100.36 11.87 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.494 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.538 ' O ' HG23 ' A' ' 94' ' ' ILE . 90.1 t80 -58.97 -48.67 80.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.576 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 56.7 t -62.17 -45.62 98.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.946 0.403 . . . . 0.0 110.647 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -62.14 -44.4 96.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.547 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 5.8 tp -67.11 -29.71 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.108 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.577 HG23 ' N ' ' A' ' 96' ' ' GLU . 9.3 tp -61.96 -30.53 48.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.288 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.577 ' N ' HG23 ' A' ' 95' ' ' ILE . 98.0 mt-10 -88.31 -53.94 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.889 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.572 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 30.2 m120 -65.66 -42.64 91.15 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.554 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.581 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 17.4 tppt? -65.39 -43.4 90.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.728 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.528 HD11 ' O ' ' A' ' 95' ' ' ILE . 8.2 mp -61.12 -41.5 96.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.181 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.46 -39.62 93.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.335 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.7 mmtp -63.29 -39.13 93.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.12 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.581 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.39 -41.61 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.708 -179.275 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 106' ' ' ILE . 91.4 mt -61.68 -45.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.54 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -62.47 -45.64 92.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.383 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.521 ' O ' ' HG ' ' A' ' 109' ' ' LEU . 22.4 ptmt -65.77 -33.35 75.66 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.505 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.579 ' O ' ' O ' ' A' ' 109' ' ' LEU . 10.7 tt -70.18 -28.44 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.551 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.56 ' N ' HG23 ' A' ' 106' ' ' ILE . 98.3 m-20 -62.47 -39.6 93.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -89.35 -14.6 35.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.259 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.65 ' CD1' ' CE1' ' A' ' 114' ' ' TYR . 1.9 pp -157.0 164.23 38.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.448 ' N ' HD12 ' A' ' 109' ' ' LEU . 68.4 m-20 -104.38 139.81 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.722 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.619 ' CD2' ' CG ' ' A' ' 59' ' ' TYR . 10.6 mp -64.48 -24.59 67.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.342 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -58.75 -37.95 77.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.469 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -63.65 -39.24 93.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.124 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.706 ' CG ' ' SG ' ' A' ' 128' ' ' CYS . 22.3 m-30 -77.34 139.08 39.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.246 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.571 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 69.6 mtp85 -95.7 -37.69 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.527 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.549 ' CD1' ' HA3' ' A' ' 132' ' ' GLY . 96.0 m-85 -129.84 128.55 42.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.962 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.54 ' CD1' HG21 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -135.5 133.85 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.493 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.537 ' O ' ' CD1' ' A' ' 126' ' ' ILE . 55.4 t-20 -148.12 111.71 5.02 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.216 -178.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.541 ' HA ' ' CD1' ' A' ' 126' ' ' ILE . . . -82.82 150.44 26.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.778 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.59 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 53.0 p -118.86 161.86 19.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.884 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 124' ' ' HIS . 63.2 t30 -38.5 150.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.333 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.461 HD13 ' HG3' ' A' ' 123' ' ' GLU . 1.0 OUTLIER -46.22 -35.88 5.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 -179.185 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.461 ' HG3' HD13 ' A' ' 122' ' ' LEU . 98.9 mt-10 -66.4 -34.46 78.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.119 0.485 . . . . 0.0 109.728 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.581 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 98.9 m-70 -87.24 164.12 16.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.755 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.59 ' O ' ' OG1' ' A' ' 120' ' ' THR . 54.3 p30 -97.06 173.97 6.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.541 ' CD1' ' HA ' ' A' ' 119' ' ' ALA . 2.5 tp -107.1 137.42 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.135 0.493 . . . . 0.0 110.453 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -119.42 136.06 54.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.608 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.706 ' SG ' ' CG ' ' A' ' 114' ' ' TYR . 52.6 t -135.8 131.29 35.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.787 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.457 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -108.01 131.82 54.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.127 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.503 ' HB3' ' HD2' ' A' ' 134' ' ' LYS . 86.3 t80 -60.23 -48.68 80.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.803 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.577 ' HE3' ' CZ ' ' A' ' 133' ' ' PHE . 64.6 tttp -105.93 -3.64 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.572 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.549 ' HA3' ' CD1' ' A' ' 116' ' ' PHE . . . 100.68 -17.0 57.16 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.632 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 55.6 p90 -161.63 116.16 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.548 ' NZ ' ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER 170.75 166.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.833 -179.177 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.6 t -68.76 -20.32 64.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.528 ' O ' ' HD3' ' A' ' 134' ' ' LYS . 64.2 tttm -92.31 118.45 30.92 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.117 0.484 . . . . 0.0 110.957 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -150.64 159.01 44.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.346 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.513 ' HG3' ' OH ' ' A' ' 114' ' ' TYR . 79.3 mm-40 -115.65 141.1 48.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.517 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 140' ' ' ILE . 10.9 p -138.77 142.72 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.592 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 105' ' ' LYS . 87.4 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.56 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.525 ' C ' ' HD2' ' A' ' 24' ' ' ARG . 8.2 tmm_? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.679 0.276 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.36 -43.42 96.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.515 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -65.33 -38.69 90.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.493 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.46 94.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.679 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.21 -40.14 96.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.372 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.561 ' OE2' ' O ' ' A' ' 88' ' ' LYS . 54.1 tp10 -62.26 -42.25 99.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 ttp -60.7 -45.19 95.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.49 -40.14 93.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.384 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -61.28 -43.71 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.395 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.55 -43.77 98.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.467 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.4 -42.18 98.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.478 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.15 -39.72 93.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.307 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.57 -39.34 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.318 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.451 ' HB2' HD13 ' A' ' 45' ' ' LEU . 82.3 t80 -58.64 -47.3 84.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.33 -39.84 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.565 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -90.93 12.57 19.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.654 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.539 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 1.1 mm? -119.0 80.29 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 41' ' ' ASP . 58.7 p30 -67.54 141.6 56.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.376 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.558 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 81.53 6.68 88.99 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.587 ' CD2' ' HB2' ' A' ' 54' ' ' LYS . 92.8 m95 -116.79 143.2 45.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 110.653 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.514 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 68.4 m-85 -130.35 146.85 51.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.844 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 52' ' ' ALA . 90.5 mt -114.49 141.39 47.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.7 p -120.07 133.55 55.49 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.247 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.5 p -68.57 -34.96 76.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.376 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.0 mmt -61.94 -41.01 97.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.001 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.9 mtmt -130.27 38.66 3.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.792 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.8 m-20 1.86 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.609 0.568 . . . . 0.0 111.476 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.633 ' N ' ' O ' ' A' ' 49' ' ' LYS . 71.0 m -130.77 150.16 52.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.897 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -112.82 135.52 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.162 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.573 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 52.6 p90 -147.79 158.16 43.89 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.657 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.587 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 35.4 ttpt -134.39 137.02 43.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.141 0.496 . . . . 0.0 111.082 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 58.8 p30 -95.41 140.85 29.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.837 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 98.0 m-85 -112.66 -7.98 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.263 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.483 ' C ' HH12 ' A' ' 79' ' ' ARG . . . 90.52 -11.46 71.39 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 112' ' ' ASP . 30.7 mtpp -115.62 -30.7 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.006 0.431 . . . . 0.0 110.458 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.66 ' CZ ' HD23 ' A' ' 111' ' ' LEU . 54.1 p90 -154.81 161.44 41.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.501 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 89.0 tt0 -116.11 127.97 55.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.806 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.582 HG22 ' CE1' ' A' ' 59' ' ' TYR . 48.4 pt -127.23 137.52 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.034 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.54 ' CB ' ' HB3' ' A' ' 53' ' ' TYR . 9.1 ptm180 -139.8 155.83 47.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.019 0.438 . . . . 0.0 111.087 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.552 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 7.0 mp -118.17 125.49 50.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.942 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 65' ' ' ASN . 63.0 m -128.37 153.71 46.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.767 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 21.6 m120 -56.22 -158.82 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.461 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.476 ' HE1' ' OG ' ' A' ' 87' ' ' SER . 75.0 m80 -61.78 -39.49 91.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.353 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.596 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.483 HH12 ' C ' ' A' ' 57' ' ' GLY . 10.3 ptp180 -135.98 161.4 35.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.677 0.275 . . . . 0.0 110.362 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.53 ' CD2' ' HA ' ' A' ' 112' ' ' ASP . 1.3 mm? -68.97 143.22 54.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.395 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.52 ' O ' HD13 ' A' ' 117' ' ' ILE . 87.4 mt -119.07 128.37 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.534 HG22 ' CD1' ' A' ' 117' ' ' ILE . 65.1 t -111.45 122.63 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.111 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.48 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 83.8 m-20 -108.55 130.12 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.653 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.528 HG22 ' CG ' ' A' ' 98' ' ' LYS . 86.7 mt -121.86 127.94 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.488 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -102.49 129.46 49.01 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.567 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.501 ' O ' ' HA ' ' A' ' 65' ' ' ASN . . . -157.82 154.12 27.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.476 ' OG ' ' HE1' ' A' ' 66' ' ' HIS . 70.8 m -65.72 145.17 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.153 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.561 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 26.1 pttm -60.9 -32.65 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.321 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.452 HD13 ' OE1' ' A' ' 29' ' ' GLU . 61.0 tp -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.178 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -102.19 17.6 22.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.448 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 63' ' ' LEU . 91.0 t80 -58.07 -48.71 79.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.395 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.546 ' O ' ' OE1' ' A' ' 96' ' ' GLU . 57.6 t -62.28 -44.61 99.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.394 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.99 -42.45 98.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 95' ' ' ILE . 3.8 tp -59.54 -29.02 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.126 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.537 ' N ' HG22 ' A' ' 94' ' ' ILE . 88.0 mt -60.72 -45.5 97.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.973 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.546 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 59.9 mp0 -62.64 -46.95 85.84 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.873 -179.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.9 m-20 -71.86 -41.86 67.58 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.535 ' NZ ' ' HB3' ' A' ' 119' ' ' ALA . 2.1 mptp? -68.41 -42.16 79.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.621 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.578 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 1.3 mm? -62.69 -41.86 99.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.02 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.559 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 98.9 m-20 -63.37 -39.84 95.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.739 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 74.5 mmtt -64.29 -39.29 93.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.578 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 44.8 pt -75.34 -37.49 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.987 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 99' ' ' LEU . 89.8 mt -62.16 -47.41 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 0.0 110.614 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.559 ' OE1' ' O ' ' A' ' 100' ' ' ASP . 4.5 mp0 -67.33 -39.38 85.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.773 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.601 ' NZ ' ' SG ' ' A' ' 128' ' ' CYS . 40.9 ttmt -60.41 -45.17 94.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.603 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.557 ' O ' ' O ' ' A' ' 109' ' ' LEU . 77.7 mt -60.86 -42.54 92.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.367 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.02 -41.65 92.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.777 -178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.467 ' HB2' HD11 ' A' ' 109' ' ' LEU . 98.5 mttt -72.95 -38.44 66.75 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.24 0.543 . . . . 0.0 109.731 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.653 ' CD1' ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -156.98 178.19 10.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.018 179.689 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -90.07 129.41 36.37 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.66 HD23 ' CZ ' ' A' ' 59' ' ' TYR . 3.7 pp -72.92 -17.32 61.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.966 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.53 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 98.2 m-20 -64.09 -22.1 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.47 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.284 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.537 ' CZ ' ' OE1' ' A' ' 138' ' ' GLU . 53.1 m-85 -78.83 110.76 14.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.318 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.521 ' HD2' ' O ' ' A' ' 131' ' ' LYS . 62.8 ttm-85 -63.05 -43.07 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.721 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.418 ' C ' HG13 ' A' ' 117' ' ' ILE . 92.0 t80 -121.04 122.37 39.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.406 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.659 ' CG2' ' SG ' ' A' ' 128' ' ' CYS . 0.5 OUTLIER -127.59 131.28 70.24 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.478 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.48 ' HA ' ' O ' ' A' ' 83' ' ' ASN . 66.7 t30 -148.37 113.58 5.54 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.548 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.535 ' HB3' ' NZ ' ' A' ' 98' ' ' LYS . . . -83.0 156.29 23.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.587 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 53.1 p -124.99 161.14 27.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.066 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.554 ' O ' ' O ' ' A' ' 120' ' ' THR . 25.3 m120 -39.29 169.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.485 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.68 -39.45 88.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.235 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.579 ' HG3' ' CD2' ' A' ' 124' ' ' HIS . 25.1 pt-20 -67.39 -14.34 62.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.934 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.579 ' CD2' ' HG3' ' A' ' 123' ' ' GLU . 98.9 m-70 -112.82 158.98 19.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.686 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.587 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.3 m-20 -98.69 170.49 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.684 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.481 HG13 ' HA ' ' A' ' 119' ' ' ALA . 16.9 tt -108.09 133.96 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 110.431 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -120.32 139.08 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.579 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.659 ' SG ' ' CG2' ' A' ' 117' ' ' ILE . 75.5 m -125.75 149.1 48.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.703 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 114' ' ' TYR . 98.3 m-85 -117.54 137.05 52.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.131 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.605 ' CE2' ' HE3' ' A' ' 131' ' ' LYS . 62.3 t80 -60.89 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.605 ' HE3' ' CE2' ' A' ' 130' ' ' TYR . 34.9 mmtp -116.07 12.22 15.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.491 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.494 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.33 -13.37 67.37 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.512 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 83.0 t80 -162.53 116.79 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.537 ' NZ ' ' NZ ' ' A' ' 136' ' ' LYS . 6.8 mtpp 171.65 166.5 0.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.698 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.533 HG23 ' N ' ' A' ' 136' ' ' LYS . 12.7 t -67.31 -25.23 65.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.579 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.537 ' NZ ' ' NZ ' ' A' ' 134' ' ' LYS . 39.2 mtmm -81.77 126.62 32.05 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.127 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -151.33 158.62 44.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.782 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.537 ' OE1' ' CZ ' ' A' ' 114' ' ' TYR . 88.8 tt0 -117.23 129.42 55.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.207 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 10.0 p -136.3 140.91 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.689 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.613 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.694 0.283 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.459 ' HA ' HE21 ' A' ' 28' ' ' GLN . 78.6 mm-40 -62.61 -40.31 96.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.408 . . . . 0.0 110.458 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -67.44 -38.77 85.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.844 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.8 98.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.892 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' A' ' 25' ' ' GLU . 20.2 pt20 -73.6 -25.43 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.438 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.521 ' OE2' ' C ' ' A' ' 88' ' ' LYS . 54.4 tp10 -62.27 -42.55 99.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.322 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -62.64 -40.4 96.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.482 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.83 -40.4 95.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.321 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.645 ' CZ ' ' O ' ' A' ' 89' ' ' LEU . 79.8 ttt180 -61.61 -43.76 98.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.341 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.93 -39.16 93.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.537 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -61.85 -39.95 93.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.001 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.578 ' O ' ' CD2' ' A' ' 40' ' ' LEU . . . -61.66 -39.1 90.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.28 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 79.3 t80 -58.22 -47.48 83.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.47 -37.92 82.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.791 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.72 7.99 44.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.362 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.578 ' CD2' ' O ' ' A' ' 36' ' ' ALA . 2.1 mm? -111.74 93.58 4.53 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.849 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.9 t0 -67.52 130.7 43.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.802 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.1 17.86 70.97 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.935 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.594 ' CZ2' ' HD2' ' A' ' 54' ' ' LYS . 93.1 m95 -118.25 142.0 47.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.798 0.333 . . . . 0.0 110.755 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 81.1 m-85 -134.22 145.65 49.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 HD21 ' HA ' ' A' ' 52' ' ' ALA . 92.6 mt -118.7 139.65 51.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.615 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 40.1 t -120.22 128.52 53.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.408 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.0 p -67.12 -37.35 83.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 63.5 mtt -62.95 -40.58 98.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.631 ' O ' ' C ' ' A' ' 50' ' ' ASP . 99.4 mttt -122.17 38.76 4.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.579 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.631 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.5 m-20 -5.21 75.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.57 0.544 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.4 t -149.63 150.27 31.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.859 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -108.64 138.27 45.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.345 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.2 p90 -149.99 163.47 38.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.51 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.646 ' CE ' ' CE1' ' A' ' 56' ' ' PHE . 22.0 ptmt -132.49 147.98 52.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -114.89 106.26 13.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.341 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.646 ' CE1' ' CE ' ' A' ' 54' ' ' LYS . 1.4 m-85 -92.51 -9.83 39.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 0.0 110.392 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.63 -9.73 76.77 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -113.46 -31.08 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.463 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.586 ' CE2' HD13 ' A' ' 111' ' ' LEU . 54.2 p90 -154.81 160.92 41.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.603 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.569 ' OE2' ' CD1' ' A' ' 53' ' ' TYR . 51.5 tp10 -121.48 128.23 51.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.615 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.542 HD11 ' CD1' ' A' ' 102' ' ' ILE . 47.3 pt -130.8 137.18 56.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.482 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.661 ' CZ ' ' OD1' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -139.48 157.09 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.103 0.477 . . . . 0.0 110.949 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.616 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 2.3 mp -112.21 146.94 37.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.863 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 65' ' ' ASN . 99.5 p -142.83 162.78 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.789 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 64' ' ' SER . 98.8 m-20 -56.27 -159.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.594 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.575 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 86.6 t60 -58.81 -46.51 87.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.308 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--N 1.329 -0.319 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.14 179.385 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.487 ' C ' ' HD2' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.487 ' HD2' ' C ' ' A' ' 78' ' ' GLY . 12.4 mpt_? -118.91 153.24 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.725 0.298 . . . . 0.0 110.447 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.579 ' CD1' ' O ' ' A' ' 114' ' ' TYR . 3.7 mm? -56.64 149.82 16.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.414 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.402 HG23 HD12 ' A' ' 81' ' ' ILE . 49.7 mm -106.99 123.59 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 117' ' ' ILE . 49.1 t -124.3 124.84 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.712 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.661 ' OD1' ' CZ ' ' A' ' 62' ' ' ARG . 98.3 m-20 -106.16 124.28 49.34 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.705 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 86.4 mt -119.1 127.87 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.451 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.575 ' CE ' ' O ' ' A' ' 66' ' ' HIS . 59.8 mtpt -101.86 126.5 48.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.749 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.531 ' CB ' HG23 ' A' ' 94' ' ' ILE . . . -162.37 150.79 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.4 m -73.72 148.61 42.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.587 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.521 ' C ' ' OE2' ' A' ' 29' ' ' GLU . 68.4 mttm -62.19 -39.59 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.834 0.349 . . . . 0.0 110.332 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.645 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 7.6 mp -62.55 -38.74 91.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.899 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -99.49 16.18 24.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.484 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 52' ' ' ALA . 87.3 t80 -58.6 -48.14 81.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.72 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.554 ' O ' HG12 ' A' ' 95' ' ' ILE . 66.8 t -61.44 -46.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.203 0.525 . . . . 0.0 110.44 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.31 -40.22 95.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.816 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 91' ' ' PHE . 5.5 tp -70.46 -38.63 74.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.451 -178.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.58 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 47.3 pt -67.26 -31.6 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.619 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 98.8 mt-10 -65.49 -41.46 93.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 64.7 t30 -84.45 -46.26 11.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.414 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.599 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 14.4 mptt -64.83 -40.61 95.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.977 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.58 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 10.2 tt -59.96 -44.13 94.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.973 0.416 . . . . 0.0 109.999 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.99 -39.26 91.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.461 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.577 ' O ' ' CG ' ' A' ' 105' ' ' LYS . 75.6 mmtt -62.54 -38.84 91.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.114 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.599 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -76.0 -45.43 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.648 -179.195 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.528 ' O ' HG22 ' A' ' 106' ' ' ILE . 33.4 mm -62.46 -47.29 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.718 0.294 . . . . 0.0 111.167 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 88.8 tt0 -67.0 -43.92 81.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 110.832 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.577 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 47.0 mmtm -64.54 -40.08 94.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.385 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.568 HG21 ' N ' ' A' ' 107' ' ' ASP . 18.7 tt -63.5 -30.92 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.628 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.568 ' N ' HG21 ' A' ' 106' ' ' ILE . 67.5 t0 -63.15 -45.07 93.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.4 ' NZ ' ' HG2' ' A' ' 104' ' ' GLU . 38.2 mtmm -73.27 -37.8 66.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.126 0.488 . . . . 0.0 110.242 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 1.2 pp -148.52 132.2 16.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.385 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.56 140.12 58.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.929 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.586 HD13 ' CE2' ' A' ' 59' ' ' TYR . 88.3 mt -63.6 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.361 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.533 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 64.6 t0 -51.76 -17.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.186 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -64.63 -38.18 90.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.868 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.579 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 32.0 m-85 -86.64 122.79 31.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.15 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.544 ' HB2' ' N ' ' A' ' 132' ' ' GLY . 56.6 mmm-85 -63.58 -39.53 94.63 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.355 -0.538 . . . . 0.0 109.633 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -150.26 122.89 8.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.193 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.569 ' CD1' HG21 ' A' ' 82' ' ' VAL . 33.3 pt -125.85 149.95 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.552 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 51.0 t30 -145.94 112.17 5.77 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.614 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.497 ' HA ' HG12 ' A' ' 126' ' ' ILE . . . -83.16 153.17 24.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.93 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.589 ' O ' ' O ' ' A' ' 121' ' ' ASN . 72.1 p -127.82 161.92 27.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.53 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.589 ' O ' ' O ' ' A' ' 120' ' ' THR . 23.4 m120 -39.14 171.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.744 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.535 HD22 ' NZ ' ' A' ' 98' ' ' LYS . 90.9 mt -60.34 -40.4 90.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.434 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.62 -35.7 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.942 0.401 . . . . 0.0 110.02 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.553 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 64.8 m170 -82.13 157.83 23.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.56 ' O ' ' OG1' ' A' ' 120' ' ' THR . 54.3 p30 -97.89 173.92 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.066 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 139' ' ' VAL . 62.9 mt -107.59 128.97 62.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.174 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -141.82 136.07 30.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.248 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.537 ' CB ' HG21 ' A' ' 117' ' ' ILE . 31.2 p -137.81 171.87 13.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.462 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.5 m-85 -111.11 135.96 50.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.212 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.79 -48.69 80.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.456 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.534 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 16.7 ptpt -113.84 11.1 17.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.353 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.544 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 95.54 -17.21 59.73 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.52 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 81.6 t80 -162.35 116.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.543 ' HG3' ' N ' ' A' ' 135' ' ' THR . 29.6 tptp 174.29 159.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.381 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.543 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 11.4 t -68.01 -9.51 46.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.429 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 35.2 mmtp -98.67 131.48 44.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 26.4 pttm -150.47 158.61 44.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.374 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.547 ' OE1' ' OH ' ' A' ' 114' ' ' TYR . 88.7 tt0 -116.69 124.55 49.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.313 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 90.8 t -124.35 128.73 73.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.687 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.524 ' CD1' ' HE3' ' A' ' 105' ' ' LYS . 90.1 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.576 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.814 0.34 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.562 ' OE2' ' CG ' ' A' ' 29' ' ' GLU . 16.4 tm-20 -64.24 -41.57 96.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.268 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -60.2 -48.73 80.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.32 94.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.535 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.32 -40.64 96.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.484 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.562 ' CG ' ' OE2' ' A' ' 25' ' ' GLU . 78.2 mm-40 -62.66 -39.33 93.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.528 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.2 -46.76 88.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.31 -40.35 96.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.095 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.467 ' NH2' ' HB ' ' A' ' 92' ' ' VAL . 4.5 tmt_? -61.62 -43.91 97.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.357 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' CD1' HD11 ' A' ' 45' ' ' LEU . 61.5 tp -61.6 -43.98 97.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.216 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -62.67 -38.56 90.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.251 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.609 ' NZ ' ' ND2' ' A' ' 39' ' ' ASN . 29.6 tptp -59.68 -42.31 92.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.999 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 40' ' ' LEU . . . -60.69 -39.03 87.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.204 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' A' ' 44' ' ' TYR . 62.2 t80 -57.47 -47.0 83.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.98 -39.8 82.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.994 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.609 ' ND2' ' NZ ' ' A' ' 35' ' ' LYS . 98.5 m-20 -98.22 9.72 42.29 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.596 ' CD2' ' O ' ' A' ' 36' ' ' ALA . 3.4 mm? -113.12 84.77 2.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.7 t0 -67.05 132.86 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.766 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.635 ' O ' ' CE3' ' A' ' 43' ' ' TRP . . . 92.75 -5.23 76.5 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.657 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.635 ' CE3' ' O ' ' A' ' 42' ' ' GLY . 8.9 m95 -119.57 148.33 43.44 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.561 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 61.7 m-85 -134.06 148.12 51.0 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.211 -178.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.537 HD11 ' CD1' ' A' ' 33' ' ' LEU . 87.0 mt -137.06 132.61 34.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.45 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.9 m -112.82 127.94 56.31 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.495 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.9 t -66.4 -45.23 80.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.474 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.465 ' HG3' ' HG3' ' A' ' 49' ' ' LYS . 27.3 ptt? -68.52 -29.85 68.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.454 -179.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.63 ' O ' ' N ' ' A' ' 51' ' ' SER . 62.0 mtpt -118.69 39.5 3.48 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.809 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.8 p30 -8.18 76.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.612 0.57 . . . . 0.0 111.037 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.6 t -154.51 154.35 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.367 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.537 ' HB2' ' CD2' ' A' ' 63' ' ' LEU . . . -107.67 130.52 54.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.1 0.476 . . . . 0.0 110.595 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.612 ' CE1' ' NH2' ' A' ' 62' ' ' ARG . 0.5 OUTLIER -107.43 137.64 45.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.25 -179.622 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HE3' ' CZ3' ' A' ' 43' ' ' TRP . 58.3 mtpt -127.03 127.48 44.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.647 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -114.39 121.63 44.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.604 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 97.8 m-85 -113.02 -16.01 12.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.992 0.425 . . . . 0.0 110.401 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.37 -11.36 70.05 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HE2' ' OD2' ' A' ' 110' ' ' ASP . 60.6 mtpt -115.62 -29.51 6.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.005 0.431 . . . . 0.0 110.225 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.604 ' CE1' ' CD1' ' A' ' 56' ' ' PHE . 53.7 p90 -154.95 161.43 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.376 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.577 ' OE1' ' CD1' ' A' ' 81' ' ' ILE . 16.5 tm-20 -117.58 123.25 45.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.581 HG23 ' CE1' ' A' ' 59' ' ' TYR . 48.7 pt -132.18 138.42 52.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.041 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.612 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 19.7 ptp180 -136.9 159.07 42.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.359 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.593 ' CB ' ' O ' ' A' ' 84' ' ' ILE . 0.4 OUTLIER -121.16 140.8 51.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.602 -179.814 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.507 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 49.9 m -127.08 168.21 14.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.122 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.425 ' CG ' ' H ' ' A' ' 66' ' ' HIS . 54.5 t30 -54.83 -173.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.425 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 62.7 m170 -60.8 -39.68 89.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.224 179.256 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -129.15 155.97 44.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 110.473 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.602 ' CD2' ' N ' ' A' ' 81' ' ' ILE . 3.3 tt -56.21 136.46 52.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.203 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.602 ' N ' ' CD2' ' A' ' 80' ' ' LEU . 11.1 tp -117.08 128.09 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.467 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.603 ' CG2' ' CG1' ' A' ' 117' ' ' ILE . 53.1 t -126.4 124.59 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.293 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.581 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 50.1 t30 -100.64 111.64 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.541 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.593 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 82.4 mt -113.05 122.88 68.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.321 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 64' ' ' SER . 64.3 mttp -77.16 136.33 38.58 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.092 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.472 ' HB3' HG22 ' A' ' 94' ' ' ILE . . . -154.43 160.02 41.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.001 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.3 t -119.32 141.96 48.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.052 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.498 ' CD ' ' HB3' ' A' ' 29' ' ' GLU . 9.4 ptpp? -57.07 -28.47 62.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.343 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.518 HD22 ' CD ' ' A' ' 29' ' ' GLU . 86.3 mt -64.38 -39.64 94.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.211 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -120.04 30.05 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.732 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.528 ' O ' HG21 ' A' ' 94' ' ' ILE . 85.9 t80 -58.64 -49.47 77.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.777 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.551 ' O ' HG12 ' A' ' 95' ' ' ILE . 64.6 t -65.61 -43.01 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 110.735 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -63.15 -42.57 99.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.207 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.528 HG21 ' O ' ' A' ' 91' ' ' PHE . 9.9 tt -62.55 -38.23 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.471 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.591 ' O ' ' CG ' ' A' ' 99' ' ' LEU . 42.6 pt -74.11 -25.0 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.548 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.56 -46.41 90.02 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.601 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.529 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.7 m-20 -89.85 -36.7 14.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.114 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.568 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 74.8 mmtt -65.55 -40.06 92.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.085 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.591 ' CG ' ' O ' ' A' ' 95' ' ' ILE . 83.0 mt -63.27 -40.62 97.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.837 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.15 -39.52 92.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.402 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.9 mmtt -62.73 -38.83 92.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.816 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -76.99 -42.96 32.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.674 -179.275 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.552 ' O ' ' CG2' ' A' ' 106' ' ' ILE . 34.1 mm -61.76 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.31 -43.08 95.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.045 0.45 . . . . 0.0 110.407 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 109' ' ' LEU . 62.2 mtpt -62.88 -39.65 95.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.568 HG23 ' N ' ' A' ' 107' ' ' ASP . 16.9 tt -62.64 -27.1 42.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.568 ' N ' HG23 ' A' ' 106' ' ' ILE . 66.2 t0 -66.4 -42.88 87.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.458 ' HG3' ' HG ' ' A' ' 109' ' ' LEU . 8.0 ptpp? -89.52 -34.79 16.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.793 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 105' ' ' LYS . 3.7 pp -156.47 147.14 21.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.442 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.562 ' OD2' ' OD2' ' A' ' 112' ' ' ASP . 66.0 t0 -84.07 109.97 18.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.903 0.382 . . . . 0.0 110.473 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.601 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 1.1 pp -45.13 -14.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.055 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.562 ' OD2' ' OD2' ' A' ' 110' ' ' ASP . 56.7 p-10 -65.28 -14.29 60.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.908 0.385 . . . . 0.0 110.333 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 98.1 mttt -64.9 -38.55 91.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.256 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.712 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 26.1 m-85 -75.61 123.76 26.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.169 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.482 ' HB2' ' HA ' ' A' ' 131' ' ' LYS . 99.4 mtt180 -63.47 -39.47 94.53 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.179 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -146.61 120.05 9.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 111.406 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.661 ' CG2' ' SG ' ' A' ' 128' ' ' CYS . 40.4 pt -130.91 150.82 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.581 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 48.3 t-20 -143.81 111.73 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.96 -178.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.522 ' CB ' HG12 ' A' ' 84' ' ' ILE . . . -83.84 156.06 22.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.318 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.611 ' CG2' ' CB ' ' A' ' 124' ' ' HIS . 5.2 m -122.65 161.24 24.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.521 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.553 ' O ' ' O ' ' A' ' 120' ' ' THR . 85.1 m-20 -38.04 167.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.94 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.469 HD23 ' HB2' ' A' ' 97' ' ' ASN . 92.0 mt -60.86 -40.32 92.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.991 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.16 -34.4 77.96 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.611 ' CB ' ' CG2' ' A' ' 120' ' ' THR . 80.6 m80 -82.81 165.92 19.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.388 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.38 169.14 10.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.25 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 139' ' ' VAL . 16.1 tt -108.93 137.42 41.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 111.123 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -121.53 147.4 45.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.565 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.712 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 53.4 t -134.64 127.06 30.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.666 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.452 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.2 m-85 -110.96 132.06 54.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.375 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -59.81 -49.37 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.594 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 115' ' ' ARG . 3.3 ptmm? -118.04 8.49 12.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.06 0.457 . . . . 0.0 110.204 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.452 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 97.35 -21.68 44.85 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 109.646 -1.381 . . . . 0.0 109.646 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 93.0 m-85 -149.55 115.82 5.77 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 39.5 ttmt 174.77 159.49 0.18 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.924 0.393 . . . . 0.0 110.668 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.447 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 77.5 p -69.17 -20.56 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.999 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -90.55 118.46 30.02 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 14.7 ptmm? -151.1 159.02 44.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 128' ' ' CYS . 79.7 mm-40 -114.42 140.68 48.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.094 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 126' ' ' ILE . 11.0 p -136.01 142.38 39.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.876 0.37 . . . . 0.0 110.795 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.48 ' O ' ' CG2' ' A' ' 140' ' ' ILE . 89.2 mt . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.552 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.568 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 17.2 tpt180 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.817 0.341 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.515 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 54.4 tp10 -60.39 -41.37 93.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -67.66 -28.5 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.38 89.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.682 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.568 ' OE1' ' O ' ' A' ' 24' ' ' ARG . 26.5 mp0 -63.66 -39.82 95.31 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.17 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.548 ' HG2' ' NH2' ' A' ' 32' ' ' ARG . 98.2 mt-10 -62.72 -39.81 95.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.454 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.5 mtt -63.14 -40.67 98.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 98.4 m-20 -61.79 -41.87 98.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.965 0.412 . . . . 0.0 110.528 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.548 ' NH2' ' HG2' ' A' ' 29' ' ' GLU . 47.6 mtm105 -68.14 -39.15 82.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 86.5 mt -63.03 -42.08 99.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.435 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.5 pt-20 -68.71 -38.17 80.03 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.097 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 87.8 tttt -62.46 -45.46 92.96 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.579 ' O ' ' OD1' ' A' ' 39' ' ' ASN . . . -62.88 -38.68 91.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.425 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.499 ' HD1' ' CD1' ' A' ' 45' ' ' LEU . 93.3 t80 -58.49 -46.04 87.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.72 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.96 -41.19 95.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.004 0.43 . . . . 0.0 110.118 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.579 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 38.7 p30 -95.18 12.2 29.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.519 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 1.1 mt -104.62 68.79 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.37 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.497 ' O ' ' NZ ' ' A' ' 54' ' ' LYS . 99.0 m-20 -65.08 136.55 56.87 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.073 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.549 ' HA3' ' NZ ' ' A' ' 54' ' ' LYS . . . 81.29 -0.97 86.87 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.406 -0.677 . . . . 0.0 111.406 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.603 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 96.9 m95 -119.46 139.88 51.34 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.251 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.573 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 81.8 m-85 -134.09 137.83 44.87 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.557 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.585 HD21 ' CZ ' ' A' ' 91' ' ' PHE . 3.1 mp -122.65 145.18 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.987 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.511 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.8 p -119.77 132.95 55.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.369 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -66.12 -39.55 90.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.307 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.461 ' HG3' ' HD3' ' A' ' 49' ' ' LYS . 18.1 tpt -60.02 -45.36 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.209 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.616 ' O ' ' N ' ' A' ' 51' ' ' SER . 3.4 mptp? -123.48 39.18 4.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.616 ' C ' ' O ' ' A' ' 49' ' ' LYS . 28.4 t0 0.81 67.72 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.61 0.569 . . . . 0.0 111.535 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 49' ' ' LYS . 70.6 m -129.95 148.94 51.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.719 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -124.94 147.32 48.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.585 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 44' ' ' TYR . 53.5 p90 -147.81 160.05 43.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.031 0.443 . . . . 0.0 111.101 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.603 ' HE2' ' CE2' ' A' ' 43' ' ' TRP . 15.3 tppt? -124.23 125.53 44.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.507 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -100.75 101.21 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.712 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.462 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 1.8 m-85 -98.51 -15.94 19.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.384 . . . . 0.0 110.575 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.33 -10.01 75.67 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.561 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 62.2 mtpt -115.23 -33.74 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.192 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.541 ' CG ' HD11 ' A' ' 111' ' ' LEU . 53.7 p90 -152.86 161.49 42.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.381 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -121.98 128.75 51.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.551 ' CG1' ' HB3' ' A' ' 54' ' ' LYS . 47.3 pt -127.95 137.23 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.947 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 20.7 ptp180 -140.18 159.16 42.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.11 0.481 . . . . 0.0 111.432 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.548 ' CD2' ' NZ ' ' A' ' 98' ' ' LYS . 90.5 mt -109.25 147.28 32.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.371 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.4 p -148.14 162.19 39.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.983 0.421 . . . . 0.0 110.653 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -64.36 -177.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.639 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -59.2 -46.56 88.11 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.915 179.088 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.557 ' O ' ' NE ' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.557 ' NE ' ' O ' ' A' ' 78' ' ' GLY . 6.1 mmp_? -120.06 161.02 21.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.451 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.59 ' CD1' ' O ' ' A' ' 114' ' ' TYR . 0.6 OUTLIER -55.61 142.66 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.528 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 88.1 mt -117.22 128.87 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.943 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' A' ' 117' ' ' ILE . 48.7 t -118.68 121.22 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.733 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.574 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 33.3 m120 -105.73 121.49 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.061 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.599 ' CG1' ' CB ' ' A' ' 119' ' ' ALA . 3.9 mp -123.67 128.01 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.148 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -97.67 132.06 43.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.133 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.474 ' HB1' HG12 ' A' ' 94' ' ' ILE . . . -154.53 151.52 28.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.365 . . . . 0.0 110.84 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.58 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 40.7 t -67.26 144.53 55.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.683 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HE3' ' OD2' ' A' ' 50' ' ' ASP . 62.6 mtpt -61.21 -39.13 89.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.211 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.543 HD23 ' NH2' ' A' ' 32' ' ' ARG . 89.2 mt -62.59 -39.02 92.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.706 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.58 ' OD1' ' O ' ' A' ' 87' ' ' SER . 53.3 p30 -99.55 23.76 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.556 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.585 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 87.7 t80 -58.43 -48.81 79.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.81 -43.34 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.132 0.491 . . . . 0.0 110.228 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -60.7 -40.81 93.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.023 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.559 HG21 ' N ' ' A' ' 95' ' ' ILE . 7.4 tp -58.14 -29.48 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.453 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.581 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 31.9 mm -62.25 -46.18 97.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.652 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.92 -42.84 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.976 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.562 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 64.9 t30 -75.08 -50.97 14.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.732 0.301 . . . . 0.0 111.736 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.578 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 39.2 ttpt -64.17 -43.05 96.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.978 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.581 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 10.4 tt -59.15 -42.67 91.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.102 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.82 -38.86 89.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.617 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 50.6 mmtm -62.56 -39.32 93.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.259 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.578 ' CD1' ' O ' ' A' ' 98' ' ' LYS . 0.2 OUTLIER -71.58 -39.07 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.857 -178.449 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.522 ' CD1' HD22 ' A' ' 99' ' ' LEU . 89.5 mt -61.34 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.71 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.529 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 88.8 tt0 -65.07 -43.08 93.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 110.533 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 109' ' ' LEU . 62.8 mttp -63.25 -41.37 99.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.085 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.55 HG22 ' N ' ' A' ' 107' ' ' ASP . 18.3 tt -70.2 -29.81 41.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.639 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.55 ' N ' HG22 ' A' ' 106' ' ' ILE . 37.2 t70 -61.5 -43.79 98.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.496 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.529 ' NZ ' ' HG2' ' A' ' 104' ' ' GLU . 38.4 mtmm -92.39 -29.46 16.3 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.226 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.668 HD13 ' CZ ' ' A' ' 114' ' ' TYR . 3.0 pp -156.74 144.16 19.0 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.28 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.73 144.72 50.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.042 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.541 HD11 ' CG ' ' A' ' 59' ' ' TYR . 90.8 mt -64.44 -35.85 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.542 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.561 ' OD1' ' O ' ' A' ' 58' ' ' LYS . 98.7 m-20 -61.03 -16.51 44.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.941 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.481 ' HZ1' ' HA ' ' A' ' 109' ' ' LEU . 97.9 mttt -63.98 -38.47 91.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.001 0.429 . . . . 0.0 110.023 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.714 ' CG ' ' SG ' ' A' ' 128' ' ' CYS . 49.0 m-85 -81.08 130.97 35.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.161 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 131' ' ' LYS . 60.4 ttt85 -63.58 -43.16 97.8 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.618 178.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -148.52 124.43 10.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.658 ' CG2' ' SG ' ' A' ' 128' ' ' CYS . 28.4 pt -126.94 150.64 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.574 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 48.6 t30 -144.89 114.49 7.2 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.819 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.599 ' CB ' ' CG1' ' A' ' 84' ' ' ILE . . . -83.01 152.31 25.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.881 179.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 70.5 p -127.46 162.25 26.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.759 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.575 ' OD1' ' CB ' ' A' ' 124' ' ' HIS . 48.5 p-10 -59.23 175.19 0.33 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.543 HD23 ' ND2' ' A' ' 97' ' ' ASN . 96.3 mt -62.1 -40.46 95.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.504 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.69 -34.61 78.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.963 0.411 . . . . 0.0 110.641 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.592 ' ND1' ' O ' ' A' ' 125' ' ' ASP . 63.8 t-80 -93.17 164.04 13.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.829 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.592 ' O ' ' ND1' ' A' ' 124' ' ' HIS . 97.9 m-20 -98.26 157.78 15.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.669 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.537 ' CD1' ' HA ' ' A' ' 119' ' ' ALA . 14.7 tt -109.23 138.82 34.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.054 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 125' ' ' ASP . 0.6 OUTLIER -127.94 150.5 49.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.717 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.714 ' SG ' ' CG ' ' A' ' 114' ' ' TYR . 54.0 t -132.43 125.98 32.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.43 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.467 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -109.7 129.45 55.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.618 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -59.9 -48.97 79.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.446 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.513 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 37.9 ttmt -117.51 6.8 12.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.135 0.493 . . . . 0.0 110.027 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 96.9 -21.37 46.48 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.535 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 92.1 m-85 -151.25 115.5 5.05 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 31.7 ttpt 174.15 161.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.572 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 10.6 t -68.62 -19.15 64.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.478 ' HB3' ' HE3' ' A' ' 134' ' ' LYS . 88.0 tttt -92.96 117.23 29.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.952 0.406 . . . . 0.0 110.794 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -151.32 158.47 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.504 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 128' ' ' CYS . 88.9 tt0 -114.49 128.24 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.212 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.509 HG21 ' N ' ' A' ' 140' ' ' ILE . 10.6 p -133.55 142.45 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.885 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.509 ' N ' HG21 ' A' ' 139' ' ' VAL . 85.4 mt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 43.6 ttm180 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.803 0.335 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.5 ' OE2' HD11 ' A' ' 89' ' ' LEU . 16.4 tm-20 -61.15 -41.72 97.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.433 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -59.92 -48.76 80.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.403 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.555 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -61.36 -40.36 93.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.561 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 99.1 mm-40 -63.28 -39.38 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.374 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.535 ' CG ' ' HB3' ' A' ' 88' ' ' LYS . 16.5 tm-20 -63.01 -40.64 98.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.921 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.4 tpt -60.36 -47.96 83.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.156 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.561 ' OD1' ' O ' ' A' ' 28' ' ' GLN . 7.5 p-10 -69.42 -39.01 78.13 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.487 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -61.27 -40.15 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.423 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' CD1' HD23 ' A' ' 45' ' ' LEU . 60.7 tp -59.91 -39.76 86.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.61 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.45 -39.58 88.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.679 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.545 ' NZ ' ' HB2' ' A' ' 31' ' ' ASP . 13.8 mptt -61.72 -39.55 91.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.168 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.585 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . -61.13 -39.71 91.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.411 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.499 ' HD1' ' CD1' ' A' ' 45' ' ' LEU . 92.1 t80 -58.2 -46.61 85.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tm-20 -59.46 -39.59 84.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.661 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.51 ' C ' HD13 ' A' ' 40' ' ' LEU . 57.6 t30 -97.16 15.84 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.12 0.486 . . . . 0.0 110.109 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.585 ' CD1' ' O ' ' A' ' 36' ' ' ALA . 1.5 mp -109.96 72.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.786 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.1 129.12 38.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.04 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.628 ' O ' ' CE3' ' A' ' 43' ' ' TRP . . . 82.53 2.16 90.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.414 -0.675 . . . . 0.0 111.414 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.637 ' CZ3' ' CZ ' ' A' ' 56' ' ' PHE . 9.3 m95 -123.08 147.34 46.83 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -135.44 145.43 47.21 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.525 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.578 HD22 ' CE2' ' A' ' 91' ' ' PHE . 2.6 mp -129.91 145.3 51.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.287 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.1 m -118.48 129.05 55.15 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.833 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.3 p -81.06 -28.23 35.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.8 ptp -50.75 -29.87 12.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.626 ' O ' ' C ' ' A' ' 50' ' ' ASP . 64.1 tttm -148.64 67.39 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.564 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 95.6 m-20 0.87 68.11 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.712 0.632 . . . . 0.0 111.294 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.7 t -150.93 148.71 28.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.206 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.548 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -127.32 152.12 47.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.792 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.54 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 53.5 p90 -143.76 157.74 44.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.03 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.613 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 29.6 mmtp -121.15 145.72 47.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.474 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -114.39 104.26 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.987 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.637 ' CZ ' ' CZ3' ' A' ' 43' ' ' TRP . 97.0 m-85 -96.66 -14.84 21.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.009 0.433 . . . . 0.0 110.276 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.13 -12.03 67.6 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -115.86 -28.08 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.605 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.647 ' CZ ' HD23 ' A' ' 111' ' ' LEU . 53.0 p90 -154.46 160.92 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.819 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -114.72 127.63 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.74 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.583 HG23 ' CE1' ' A' ' 59' ' ' TYR . 43.6 pt -129.27 138.97 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.95 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.449 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 9.2 ptm180 -134.77 157.07 47.68 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.154 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.536 HD21 ' CE1' ' A' ' 91' ' ' PHE . 8.1 mp -106.83 146.78 30.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.033 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 90.9 p -148.16 163.23 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.996 0.427 . . . . 0.0 110.913 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.488 ' CG ' ' H ' ' A' ' 66' ' ' HIS . 52.0 t30 -56.35 -168.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.621 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.521 ' O ' ' HD2' ' A' ' 85' ' ' LYS . 62.5 m170 -61.68 -39.7 92.35 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.623 179.008 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -129.44 153.63 47.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.61 0.243 . . . . 0.0 110.465 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 114' ' ' TYR . 0.4 OUTLIER -55.98 139.09 47.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.95 127.39 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.701 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.593 ' CG2' ' CD1' ' A' ' 117' ' ' ILE . 53.6 t -116.53 123.13 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.813 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.565 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 84.8 m-20 -103.87 123.16 46.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.29 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 98' ' ' LYS . 84.6 mt -119.27 126.3 75.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.538 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.521 ' HD2' ' O ' ' A' ' 66' ' ' HIS . 57.9 mtmt -101.97 123.48 45.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.369 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -161.39 151.95 17.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.536 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.3 p -71.75 159.58 34.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.251 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.535 ' HB3' ' CG ' ' A' ' 29' ' ' GLU . 98.3 mttt -62.83 -40.1 96.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.353 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.5 HD11 ' OE2' ' A' ' 25' ' ' GLU . 7.7 mp -63.83 -38.56 91.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.428 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -99.33 17.72 19.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.521 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.578 ' CE2' HD22 ' A' ' 45' ' ' LEU . 87.9 t80 -57.98 -49.22 77.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.544 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 95' ' ' ILE . 8.0 p -71.44 -33.13 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.073 0.463 . . . . 0.0 110.307 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.42 -39.38 94.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.245 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.511 HG21 ' O ' ' A' ' 91' ' ' PHE . 7.1 tp -65.92 -36.76 78.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.497 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.56 ' O ' ' HB2' ' A' ' 99' ' ' LEU . 44.1 pt -75.38 -24.94 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.879 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.577 ' OE1' ' OD1' ' A' ' 97' ' ' ASN . 16.5 tm-20 -62.05 -45.58 92.91 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.477 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.577 ' OD1' ' OE1' ' A' ' 96' ' ' GLU . 86.4 m-20 -90.86 -36.46 14.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.821 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.545 ' NZ ' HD11 ' A' ' 126' ' ' ILE . 59.1 tptt -64.34 -43.43 94.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.967 0.413 . . . . 0.0 110.338 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 95' ' ' ILE . 85.9 mt -61.89 -41.37 97.81 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.459 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.23 -39.47 94.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.6 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.588 ' O ' ' NZ ' ' A' ' 105' ' ' LYS . 34.7 mmtp -65.72 -40.45 92.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.862 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.537 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 45.4 pt -72.12 -39.14 64.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.977 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 99' ' ' LEU . 31.1 mm -62.75 -45.57 98.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.826 0.346 . . . . 0.0 110.43 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.35 -44.27 91.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.588 ' NZ ' ' O ' ' A' ' 101' ' ' LYS . 37.8 mtmm -63.4 -40.6 97.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 102' ' ' ILE . 79.9 mt -61.95 -44.48 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.797 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.64 -39.61 88.91 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.317 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -87.45 -31.04 20.24 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.582 ' O ' ' O ' ' A' ' 105' ' ' LYS . 2.8 pp -157.42 138.68 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.726 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.508 ' HB3' ' OD1' ' A' ' 112' ' ' ASP . 99.0 m-20 -65.65 138.61 58.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.35 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.647 HD23 ' CZ ' ' A' ' 59' ' ' TYR . 3.4 pp -80.03 -21.04 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.048 0.452 . . . . 0.0 110.146 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' ' 110' ' ' ASP . 60.0 p30 -71.22 -12.86 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.456 ' HG2' ' HB2' ' A' ' 110' ' ' ASP . 31.6 mmmt -64.41 -39.2 93.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.25 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.567 ' OH ' ' CD1' ' A' ' 109' ' ' LEU . 9.1 m-85 -75.06 133.86 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.241 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 130' ' ' TYR . 57.5 mmm-85 -63.58 -39.64 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.928 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.411 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 94.3 t80 -145.87 126.53 14.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.105 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.593 ' CD1' ' CG2' ' A' ' 82' ' ' VAL . 26.6 pt -127.38 151.26 34.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.363 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.565 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 64.9 t30 -147.72 139.17 23.74 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.875 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.539 ' HB1' ' NZ ' ' A' ' 98' ' ' LYS . . . -112.33 154.36 25.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.995 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.576 ' O ' ' O ' ' A' ' 121' ' ' ASN . 71.2 p -127.37 161.33 28.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.467 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.576 ' O ' ' O ' ' A' ' 120' ' ' THR . 55.9 t30 -39.28 169.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.461 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.96 -40.34 92.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.409 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.79 -34.1 77.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.105 0.479 . . . . 0.0 109.939 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.542 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 66.3 m170 -78.55 163.46 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.695 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.574 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.0 m-20 -98.04 162.78 13.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.409 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.545 HD11 ' NZ ' ' A' ' 98' ' ' LYS . 16.4 tt -109.12 136.22 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.532 ' NZ ' ' CE1' ' A' ' 129' ' ' TYR . 10.3 ptmm? -145.87 141.59 27.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.77 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.516 ' O ' ' HB2' ' A' ' 137' ' ' LYS . 72.0 m -131.53 150.65 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.532 ' CE1' ' NZ ' ' A' ' 127' ' ' LYS . 98.9 m-85 -117.83 141.97 47.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.355 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.504 ' O ' ' HG2' ' A' ' 115' ' ' ARG . 76.0 m-85 -63.4 -40.36 97.0 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.706 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.485 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 16.8 ptpt -117.68 9.97 13.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.982 0.42 . . . . 0.0 110.435 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.445 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.63 -12.86 68.2 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.515 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 83.5 t80 -160.91 116.42 2.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.55 ' HG3' ' N ' ' A' ' 135' ' ' THR . 59.8 tptt 174.83 161.06 0.21 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.391 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.55 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 11.4 t -67.7 -10.11 49.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.132 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.436 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 75.5 mmtt -101.49 119.82 39.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.427 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 64.9 pttt -150.4 158.74 44.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -109.16 129.31 55.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.282 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.512 ' C ' HG13 ' A' ' 140' ' ' ILE . 10.1 p -133.68 139.77 48.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.634 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.527 HD12 ' CG2' ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.548 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.461 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 25.1 ptp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.64 95.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -153.49 161.31 42.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.933 0.396 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.24 -10.95 73.58 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.591 ' O ' ' C ' ' A' ' 6' ' ' SER . 64.8 mttp -117.16 -19.63 9.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 0.0 110.428 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.591 ' C ' ' O ' ' A' ' 5' ' ' LYS . 2.8 m 12.13 -105.21 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.576 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.585 ' N ' ' HD2' ' A' ' 7' ' ' ARG . 2.4 mpt_? -62.23 -40.16 95.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.074 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.587 ' N ' ' O ' ' A' ' 5' ' ' LYS . 97.9 m-85 -89.71 87.73 7.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.402 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.95 -39.38 94.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.443 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -149.35 150.78 33.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.16 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.658 ' CD2' ' NH2' ' A' ' 14' ' ' ARG . 98.7 m-85 -71.68 97.4 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.004 0.431 . . . . 0.0 110.452 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -62.13 -41.98 98.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.084 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -73.96 66.44 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.139 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.658 ' NH2' ' CD2' ' A' ' 11' ' ' TYR . 90.7 mmt-85 -130.97 145.97 52.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.514 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 87.0 p -70.74 -20.79 62.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.797 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.638 ' CD1' ' O ' ' A' ' 14' ' ' ARG . 93.7 m-85 56.31 27.74 12.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.603 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.496 ' O ' ' HD2' ' A' ' 18' ' ' ARG . 54.4 p30 -83.39 178.33 8.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.761 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' A' ' 17' ' ' ASN . 31.1 mmm180 -135.44 148.47 49.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.1 t -65.61 139.17 58.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.521 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -128.97 28.24 5.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm -128.44 147.86 50.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.435 ' HG2' ' H ' ' A' ' 25' ' ' GLU . 20.1 pm0 -75.81 155.29 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.427 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -64.05 -24.05 67.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HB3' ' HG3' ' A' ' 22' ' ' GLN . 23.6 tpp180 -60.49 -44.85 95.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.732 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.435 ' H ' ' HG2' ' A' ' 22' ' ' GLN . 88.9 tt0 -61.36 -43.87 98.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.496 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -64.4 -40.5 95.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.52 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.03 98.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.466 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.04 -41.2 97.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.201 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' HG2' HD13 ' A' ' 89' ' ' LEU . 98.5 mt-10 -63.82 -39.12 93.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.45 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 ttp -60.28 -45.93 91.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.772 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.43 -41.97 98.02 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.248 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.525 ' C ' ' HD2' ' A' ' 32' ' ' ARG . 8.2 tmm_? -63.15 -43.0 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.024 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 91' ' ' PHE . 63.0 tp -61.7 -44.11 97.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.817 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.13 -42.11 97.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.467 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -60.62 -43.55 97.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.521 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.15 -40.35 93.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.719 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.652 ' CZ ' ' CB ' ' A' ' 52' ' ' ALA . 31.2 m-85 -66.09 -36.78 84.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.798 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.45 -40.91 92.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.519 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -96.44 6.93 47.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.686 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.535 ' CD1' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -95.84 99.79 11.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 0.0 110.709 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.7 t0 -66.87 132.63 48.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.787 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.553 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 86.63 8.35 77.11 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.67 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.577 ' CE2' ' HD3' ' A' ' 54' ' ' LYS . 95.5 m95 -116.95 139.49 50.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.813 0.339 . . . . 0.0 110.248 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 67.3 m-85 -135.08 147.89 49.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.973 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.587 HD13 ' CD1' ' A' ' 37' ' ' PHE . 94.0 mt -120.36 139.8 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.655 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -120.38 128.68 53.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.355 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.5 p -66.42 -36.63 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.761 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.05 -45.42 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.851 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.624 ' O ' ' C ' ' A' ' 50' ' ' ASP . 23.2 pttp -117.14 39.48 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.771 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.624 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.4 t0 -3.3 74.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.62 0.575 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 49' ' ' LYS . 94.0 p -153.18 163.53 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.711 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.652 ' CB ' ' CZ ' ' A' ' 37' ' ' PHE . . . -125.01 149.45 47.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.728 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.2 p90 -149.81 160.72 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.654 ' CE ' ' CZ ' ' A' ' 56' ' ' PHE . 26.3 ttpt -133.21 129.85 38.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.053 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.559 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 59.5 p30 -106.1 138.57 42.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.965 0.412 . . . . 0.0 111.025 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.654 ' CZ ' ' CE ' ' A' ' 54' ' ' LYS . 90.0 m-85 -102.31 -0.65 32.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.252 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.36 -9.8 76.35 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 99.4 mttt -114.62 -28.75 7.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 110.44 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.64 ' CE2' ' CD2' ' A' ' 111' ' ' LEU . 53.2 p90 -155.0 161.27 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.527 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.55 ' OE1' ' OD1' ' A' ' 77' ' ' ASN . 88.8 tt0 -112.15 128.9 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.946 0.403 . . . . 0.0 111.158 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.58 HG21 ' CE1' ' A' ' 59' ' ' TYR . 48.1 pt -129.0 138.44 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.841 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.488 HH21 ' CB ' ' A' ' 51' ' ' SER . 17.2 ptm180 -133.73 153.87 51.38 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.999 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.526 ' HG ' ' CG2' ' A' ' 84' ' ' ILE . 11.1 mp -115.25 151.71 34.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.883 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.2 p -143.14 161.85 37.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.939 0.399 . . . . 0.0 110.899 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.51 ' ND2' ' HE3' ' A' ' 88' ' ' LYS . 10.6 t-20 -61.05 -164.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.956 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -61.14 -24.31 66.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.432 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.8 p -88.6 129.49 35.48 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.063 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.528 ' HB3' ' CD ' ' A' ' 85' ' ' LYS . . . -114.91 18.4 16.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -70.34 -12.18 61.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -106.3 2.61 26.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.726 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 22.0 ptmt -64.32 -24.45 67.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.77 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -84.32 140.15 31.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.637 ' CE1' ' O ' ' A' ' 75' ' ' LEU . 32.9 p80 -142.67 158.05 44.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.559 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.579 ' OD1' ' CD1' ' A' ' 75' ' ' LEU . 59.4 p30 -101.34 10.19 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.637 ' O ' ' CE1' ' A' ' 73' ' ' HIS . 7.5 mp -112.37 129.88 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.832 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 50.8 mp0 -119.91 138.52 53.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.426 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.55 ' OD1' ' OE1' ' A' ' 60' ' ' GLU . 34.5 m120 -98.54 2.98 48.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.786 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.96 2.96 90.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 1.8 mpt_? -118.35 160.22 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.606 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.582 ' CD1' ' O ' ' A' ' 115' ' ' ARG . 0.3 OUTLIER -56.07 151.23 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.105 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 60' ' ' GLU . 10.8 tp -125.43 140.85 47.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.977 0.417 . . . . 0.0 110.592 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.609 ' CG2' ' CD1' ' A' ' 117' ' ' ILE . 60.4 t -121.02 125.66 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.483 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.536 ' HB2' ' OD1' ' A' ' 118' ' ' ASN . 98.5 m-20 -99.91 117.11 33.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.526 ' CG2' ' HG ' ' A' ' 63' ' ' LEU . 83.4 mt -117.76 127.11 75.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.084 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.528 ' CD ' ' HB3' ' A' ' 68' ' ' ALA . 37.9 mtmm -112.23 128.61 56.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.202 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -160.18 152.67 20.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.0 m -71.62 149.35 45.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.247 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.51 ' HE3' ' ND2' ' A' ' 65' ' ' ASN . 98.3 mttt -62.1 -39.93 94.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.47 HD11 ' NH2' ' A' ' 32' ' ' ARG . 62.3 tp -62.43 -42.22 99.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.404 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -99.55 15.54 26.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.565 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.638 ' CE2' ' CZ ' ' A' ' 37' ' ' PHE . 91.3 t80 -58.33 -48.43 80.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.621 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 95' ' ' ILE . 56.3 t -61.34 -42.83 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.114 0.483 . . . . 0.0 110.181 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.29 -40.83 97.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.297 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 4.1 tp -64.32 -35.91 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 92' ' ' VAL . 21.2 pt -76.94 -29.17 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.927 -178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 78.4 mm-40 -63.04 -43.58 98.26 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.54 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.7 m-20 -91.35 -34.76 14.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.817 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.601 ' CE ' ' CB ' ' A' ' 119' ' ' ALA . 28.9 tptp -64.06 -44.46 92.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.264 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 95' ' ' ILE . 2.3 mp -61.31 -41.65 97.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.754 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.73 -39.77 92.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.571 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 48.6 mmtm -63.28 -39.36 94.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.006 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.582 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -73.24 -41.13 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.48 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.5 mm -62.0 -46.45 96.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.69 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.37 -43.3 91.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.987 0.422 . . . . 0.0 110.578 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.5 mtpt -63.39 -40.77 98.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.131 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.561 HG21 ' N ' ' A' ' 107' ' ' ASP . 18.3 tt -67.71 -31.0 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.706 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.561 ' N ' HG21 ' A' ' 106' ' ' ILE . 67.6 t0 -62.16 -47.22 85.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.982 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -73.33 -39.3 65.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.152 0.501 . . . . 0.0 110.207 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.583 ' CD1' ' OH ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -157.14 142.56 17.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.433 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.45 142.79 58.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.653 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.64 ' CD2' ' CE2' ' A' ' 59' ' ' TYR . 1.4 pp -76.44 -11.76 59.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.351 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 113' ' ' LYS . 59.9 p30 -71.71 -13.22 61.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.551 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 98.3 mttt -64.71 -38.65 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.214 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.583 ' OH ' ' CD1' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -84.46 126.7 33.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.193 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.594 ' HG2' ' CE1' ' A' ' 116' ' ' PHE . 60.6 ttt85 -62.77 -44.92 94.94 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.266 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.594 ' CE1' ' HG2' ' A' ' 115' ' ' ARG . 98.2 m-85 -129.87 126.11 37.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.609 ' CD1' ' CG2' ' A' ' 82' ' ' VAL . 37.8 pt -129.9 150.65 34.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.536 ' OD1' ' HB2' ' A' ' 83' ' ' ASN . 44.2 t30 -148.8 137.41 21.25 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.707 -178.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.601 ' CB ' ' CE ' ' A' ' 98' ' ' LYS . . . -109.94 150.2 28.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.648 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.589 ' OG1' ' ND1' ' A' ' 124' ' ' HIS . 57.9 p -127.02 161.51 28.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -42.75 151.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 123' ' ' GLU . 2.4 pp -46.51 -42.0 14.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.914 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.6 ' N ' ' CD1' ' A' ' 122' ' ' LEU . 88.7 tt0 -66.17 -36.26 82.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.08 0.467 . . . . 0.0 109.826 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.589 ' ND1' ' OG1' ' A' ' 120' ' ' THR . 62.8 t-80 -76.97 164.47 25.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.199 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.516 ' N ' ' ND1' ' A' ' 124' ' ' HIS . 98.3 m-20 -97.51 151.08 20.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.876 0.37 . . . . 0.0 110.367 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 118' ' ' ASN . 15.7 tt -115.13 141.94 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.836 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.503 ' HB2' ' CE ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -150.8 154.24 36.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.546 ' SG ' HG23 ' A' ' 117' ' ' ILE . 71.8 m -129.66 152.31 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.56 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.485 ' O ' ' HB3' ' A' ' 114' ' ' TYR . 98.4 m-85 -117.86 137.12 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.267 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.593 ' CE1' ' HG3' ' A' ' 136' ' ' LYS . 52.4 m-85 -63.82 -40.13 95.89 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.118 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.474 ' HD2' ' C ' ' A' ' 130' ' ' TYR . 14.7 mptt -117.36 7.21 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.978 0.418 . . . . 0.0 110.397 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.465 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.55 -13.53 66.35 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.523 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 86.9 t80 -162.5 116.23 1.75 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.534 ' HG2' ' N ' ' A' ' 135' ' ' THR . 65.2 tttp 174.02 164.47 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.199 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.534 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 82.2 p -69.05 -17.88 63.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 130' ' ' TYR . 60.1 tptt -94.64 117.68 30.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.105 0.479 . . . . 0.0 110.808 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.503 ' CE ' ' HB2' ' A' ' 127' ' ' LYS . 22.2 ptmt -150.72 158.99 44.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.38 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 127' ' ' LYS . 79.4 mm-40 -113.26 141.89 46.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.579 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.506 ' O ' HD13 ' A' ' 140' ' ' ILE . 11.3 p -138.5 141.62 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 139' ' ' VAL . 25.1 mm . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.489 ' CE ' ' HE1' ' A' ' 8' ' ' TYR . 10.4 mmt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.03 96.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -109.89 -19.6 13.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.536 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' A' ' 1' ' ' MET . . . 81.29 0.88 89.66 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -122.4 -16.51 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.689 0.281 . . . . 0.0 110.761 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 68.1 m -66.37 143.87 56.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.578 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' A' ' 6' ' ' SER . 3.0 mpp_? 71.91 -31.14 0.22 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.368 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.533 ' H ' ' C ' ' A' ' 6' ' ' SER . 98.0 m-85 -100.95 11.94 38.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.885 0.374 . . . . 0.0 110.085 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.516 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 67.9 m-80 -60.42 141.37 56.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.481 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.1 p -62.78 -21.92 66.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.759 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.52 ' O ' ' O ' ' A' ' 12' ' ' ARG . 85.2 m-85 -63.3 -38.76 92.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 11' ' ' TYR . 7.3 mpt_? 51.04 168.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.499 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -73.37 147.24 44.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.344 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -66.97 143.02 57.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.2 t -148.6 146.23 28.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.584 ' HD2' ' CZ ' ' A' ' 18' ' ' ARG . 94.4 m-85 -101.0 57.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.669 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.02 -40.36 95.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.493 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.584 ' CZ ' ' HD2' ' A' ' 16' ' ' PHE . 10.9 mpt_? 45.9 46.47 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.495 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 32.0 t -108.42 121.8 45.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.529 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.66 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 98.3 m-20 41.82 -121.92 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.47 ' HG2' ' C ' ' A' ' 20' ' ' ASN . 9.2 ptmm? 171.6 -25.61 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.802 0.334 . . . . 0.0 110.692 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.486 ' O ' ' HD1' ' A' ' 26' ' ' TYR . 98.4 mt-30 -132.68 151.94 51.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.755 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 8.2 tmm_? -60.34 -40.17 89.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.208 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.494 HH21 ' CB ' ' A' ' 27' ' ' ALA . 7.6 tpm_? -59.84 -39.59 85.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.164 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -59.99 -42.31 93.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 20' ' ' ASN . 81.1 m-85 -62.57 -41.05 98.69 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.222 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.494 ' CB ' HH21 ' A' ' 24' ' ' ARG . . . -62.46 -40.69 97.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -62.36 -41.18 98.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.414 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.576 ' CB ' ' NZ ' ' A' ' 88' ' ' LYS . 78.3 mm-40 -62.87 -39.26 93.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.576 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.472 ' SD ' ' HD2' ' A' ' 88' ' ' LYS . 96.1 mmm -61.97 -41.44 98.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.5 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.3 -41.71 98.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.948 0.404 . . . . 0.0 109.952 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.438 HH12 HG12 ' A' ' 92' ' ' VAL . 79.1 ttt-85 -63.49 -42.12 98.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.26 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 91' ' ' PHE . 62.2 tp -60.93 -44.41 97.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.393 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.79 -40.77 96.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.301 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -60.38 -41.87 94.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.711 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -60.48 -41.06 93.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.68 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CD2' HD12 ' A' ' 45' ' ' LEU . 40.4 m-85 -67.62 -34.8 77.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.841 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.1 -41.08 91.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.225 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -93.92 3.24 55.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.398 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 1.1 mm? -103.08 93.74 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.74 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.491 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 98.8 m-20 -63.89 140.0 58.83 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.197 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 82.3 4.62 90.12 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.642 ' CH2' ' CG2' ' A' ' 95' ' ' ILE . 68.3 m95 -117.95 126.14 51.78 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 80.8 m-85 -139.49 148.85 43.24 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.61 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.59 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -127.86 151.43 49.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.115 179.281 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.8 p -120.09 131.44 55.07 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.567 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -64.02 -43.31 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.462 ' HE2' ' HG3' ' A' ' 49' ' ' LYS . 67.5 ttp -60.5 -45.79 92.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.343 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.626 ' O ' ' C ' ' A' ' 50' ' ' ASP . 99.7 mttt -113.25 38.4 2.88 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.007 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 66.9 t0 -2.24 72.83 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.597 0.561 . . . . 0.0 111.197 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.1 t -149.1 148.94 30.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.431 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.96 141.96 40.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 51.9 p90 -146.55 160.12 42.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.605 ' HE2' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -145.48 149.42 34.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.893 0.378 . . . . 0.0 110.853 -179.735 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -115.06 110.38 19.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.267 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.582 ' CE1' ' HG3' ' A' ' 54' ' ' LYS . 96.8 m-85 -89.82 -7.8 53.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.331 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.6 -9.71 76.82 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -115.16 -36.22 4.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.939 0.4 . . . . 0.0 110.493 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.593 ' CE1' HG21 ' A' ' 61' ' ' ILE . 52.3 p90 -156.84 161.18 39.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.437 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.589 ' OE1' ' ND2' ' A' ' 77' ' ' ASN . 88.8 tt0 -108.61 129.56 55.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.942 0.401 . . . . 0.0 111.076 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.593 HG21 ' CE1' ' A' ' 59' ' ' TYR . 45.9 pt -126.23 138.92 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.84 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.507 ' NH1' ' HD2' ' A' ' 72' ' ' TYR . 41.3 ptt180 -122.35 152.3 40.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.951 0.405 . . . . 0.0 110.895 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.586 ' CD2' ' CE1' ' A' ' 91' ' ' PHE . 1.1 tt -110.08 131.33 55.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.921 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.559 ' OG ' ' O ' ' A' ' 67' ' ' SER . 47.1 t -146.82 152.21 38.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.54 ' HB2' ' NZ ' ' A' ' 71' ' ' LYS . 52.3 t30 -55.4 -144.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.766 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.47 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 31.0 p80 -58.2 -28.29 64.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.711 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.559 ' O ' ' OG ' ' A' ' 64' ' ' SER . 91.8 p -134.06 147.12 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.266 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.526 ' HA ' ' OG ' ' A' ' 64' ' ' SER . . . -115.13 -34.63 4.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.981 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.487 ' OD1' ' OD1' ' A' ' 74' ' ' ASP . 98.4 m-20 -61.93 -41.87 98.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.396 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.65 -44.66 95.7 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.915 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.54 ' NZ ' ' HB2' ' A' ' 65' ' ' ASN . 98.3 mttt -71.22 -38.75 71.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.022 0.439 . . . . 0.0 110.966 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.596 ' CD1' ' HD3' ' A' ' 49' ' ' LYS . 62.4 t80 -139.69 129.85 25.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.506 -178.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -70.35 142.47 52.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.358 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.487 ' OD1' ' OD1' ' A' ' 69' ' ' ASP . 98.7 m-20 -63.06 135.17 57.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.723 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.579 ' CD1' ' OH ' ' A' ' 72' ' ' TYR . 90.1 mt -134.54 146.93 50.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.535 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -98.84 113.75 26.02 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.353 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.589 ' ND2' ' OE1' ' A' ' 60' ' ' GLU . 98.5 m-20 -100.37 6.68 44.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.777 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.449 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . 80.59 2.6 89.86 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.591 ' NH2' ' OD2' ' A' ' 112' ' ' ASP . 30.9 mmm180 -130.14 157.98 40.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.321 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.602 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 2.6 mm? -56.41 141.54 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.764 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' ' 75' ' ' LEU . 86.0 mt -116.95 124.36 72.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.667 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.458 HG12 HG22 ' A' ' 117' ' ' ILE . 89.4 t -122.63 127.24 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.229 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.522 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 53.4 p30 -113.88 153.08 29.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.562 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.529 ' CG2' ' HG2' ' A' ' 98' ' ' LYS . 89.6 mt -124.66 128.27 73.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.74 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 64' ' ' SER . 58.4 mtmt -101.77 120.32 40.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.34 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.533 ' CB ' ' HB ' ' A' ' 94' ' ' ILE . . . -158.9 155.75 28.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.1 p -71.35 161.31 31.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.576 ' NZ ' ' CB ' ' A' ' 29' ' ' GLU . 29.4 ttpp -60.86 -42.97 98.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.592 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.519 ' CD2' ' OD1' ' A' ' 90' ' ' ASN . 9.9 tt -62.69 -42.8 99.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.34 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.519 ' OD1' ' CD2' ' A' ' 89' ' ' LEU . 98.6 m-20 -101.07 16.43 25.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.324 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CE1' ' CD2' ' A' ' 63' ' ' LEU . 78.1 t80 -58.26 -49.46 77.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.594 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.508 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 9.8 p -70.34 -33.61 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.962 0.411 . . . . 0.0 109.997 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -61.81 -42.22 98.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.61 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.533 ' HB ' ' CB ' ' A' ' 86' ' ' ALA . 4.3 tp -60.04 -29.72 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.038 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.642 ' CG2' ' CH2' ' A' ' 43' ' ' TRP . 88.0 mt -60.76 -46.45 96.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.263 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.548 ' OE2' ' OD2' ' A' ' 100' ' ' ASP . 15.8 tm-20 -63.82 -46.47 84.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.808 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.591 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 99.0 m-20 -70.52 -41.74 72.19 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.529 ' HG2' ' CG2' ' A' ' 84' ' ' ILE . 14.0 mptt -74.16 -41.25 61.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.308 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.584 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 0.6 OUTLIER -61.42 -42.59 98.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.076 0.465 . . . . 0.0 109.946 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.548 ' OD2' ' OE2' ' A' ' 96' ' ' GLU . 98.9 m-20 -63.5 -39.26 93.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.6 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 33.6 mmtp -64.75 -39.53 93.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.71 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.584 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 43.1 pt -73.15 -36.07 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.886 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 99' ' ' LEU . 28.4 mm -62.13 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.091 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.06 -42.18 98.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.331 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.589 ' NZ ' ' CD ' ' A' ' 138' ' ' GLU . 17.9 tppt? -60.43 -45.21 94.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.159 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.528 ' CG1' ' HG ' ' A' ' 111' ' ' LEU . 78.5 mt -61.58 -44.25 98.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.495 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.69 -39.84 89.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.332 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.512 ' C ' HD23 ' A' ' 109' ' ' LEU . 75.5 mmtt -84.26 -34.04 23.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.038 0.447 . . . . 0.0 109.904 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.589 HD13 ' CE1' ' A' ' 114' ' ' TYR . 1.0 OUTLIER -157.19 138.64 13.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.21 179.607 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.72 140.46 58.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.858 0.361 . . . . 0.0 111.01 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 59' ' ' TYR . 95.4 mt -70.15 -22.63 62.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.945 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.591 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 98.5 m-20 -61.35 -22.61 65.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.403 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -64.04 -39.48 94.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.172 0.511 . . . . 0.0 109.983 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.602 ' O ' ' CG ' ' A' ' 80' ' ' LEU . 83.4 m-85 -77.91 151.96 33.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.107 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.569 ' HB2' ' N ' ' A' ' 132' ' ' GLY . 41.6 mmt180 -105.62 -25.86 12.09 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.75 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.479 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 90.4 t80 -144.81 127.08 15.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.954 0.407 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.608 HG13 ' SG ' ' A' ' 128' ' ' CYS . 1.2 mp -131.09 135.45 59.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.44 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.526 ' O ' HG13 ' A' ' 126' ' ' ILE . 65.4 t30 -135.14 110.74 9.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.976 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 83' ' ' ASN . . . -84.04 149.36 26.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.49 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.563 ' O ' ' O ' ' A' ' 121' ' ' ASN . 70.7 p -129.21 161.32 30.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.593 ' ND2' ' OE1' ' A' ' 123' ' ' GLU . 54.0 t30 -41.95 174.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.599 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.494 ' CD2' HD21 ' A' ' 97' ' ' ASN . 88.3 mt -61.24 -40.24 93.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.766 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.593 ' OE1' ' ND2' ' A' ' 121' ' ' ASN . 60.3 mp0 -66.47 -34.73 78.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 109.882 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.536 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 64.3 m170 -88.28 154.18 20.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.526 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.414 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.1 m-20 -99.43 164.39 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.586 ' O ' ' CG2' ' A' ' 139' ' ' VAL . 20.7 tt -109.67 141.3 25.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.771 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.535 ' HB2' ' CE ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -129.49 152.94 48.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.098 0.475 . . . . 0.0 111.342 -179.144 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.608 ' SG ' HG13 ' A' ' 117' ' ' ILE . 84.2 m -123.82 148.16 46.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.26 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.411 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.7 m-85 -117.25 134.7 54.49 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' A' ' 115' ' ' ARG . 83.5 m-85 -64.05 -41.33 97.43 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.121 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.423 ' C ' ' HB2' ' A' ' 115' ' ' ARG . 75.5 mmtt -111.99 5.21 18.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.423 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.569 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 91.93 -14.37 64.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.529 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 84.2 t80 -162.4 115.37 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 39.4 ttmt 174.58 164.89 0.24 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.888 0.375 . . . . 0.0 110.591 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.514 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 96.1 m -66.52 -40.08 88.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.143 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.471 ' O ' ' HD1' ' A' ' 130' ' ' TYR . 75.6 mmtt -75.73 118.88 19.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.302 0.572 . . . . 0.0 111.114 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.535 ' CE ' ' HB2' ' A' ' 127' ' ' LYS . 22.0 ptmt -151.35 158.42 43.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.152 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.589 ' CD ' ' NZ ' ' A' ' 105' ' ' LYS . 88.6 tt0 -120.3 131.37 54.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 0.0 110.446 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.586 ' CG2' ' O ' ' A' ' 126' ' ' ILE . 8.0 p -131.51 140.83 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.688 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.439 ' N ' HG23 ' A' ' 139' ' ' VAL . 86.8 mt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.584 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . -149.59 153.0 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.668 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 61.09 5.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -61.42 -42.13 99.7 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 9' ' ' ASN . 33.8 mmtp -64.72 -39.26 93.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.896 0.379 . . . . 0.0 110.549 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.495 ' CB ' ' HD1' ' A' ' 11' ' ' TYR . 18.7 t 64.23 -156.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.37 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.532 ' CD ' ' N ' ' A' ' 7' ' ' ARG . 11.5 mpt_? -62.38 -40.3 96.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.325 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.624 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 93.6 t80 -167.35 63.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.236 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 5' ' ' LYS . 49.8 t-20 53.33 42.87 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.497 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.1 m -87.36 -9.61 54.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.227 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.527 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 93.8 m-85 -129.85 150.33 51.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.184 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.527 ' HB3' ' O ' ' A' ' 11' ' ' TYR . 38.5 ttm180 79.57 37.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.4 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -102.98 11.05 37.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -125.06 138.76 54.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.81 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.526 ' O ' ' HB2' ' A' ' 16' ' ' PHE . 70.6 m -96.58 -0.8 48.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.526 ' HB2' ' O ' ' A' ' 15' ' ' SER . 93.2 m-85 71.47 177.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.442 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.51 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 58.1 t30 -158.09 155.5 29.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.89 0.376 . . . . 0.0 111.071 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 99.7 mtt180 69.82 -137.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.544 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -70.43 157.82 37.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.863 0.363 . . . . 0.0 110.811 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -116.15 -8.61 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.991 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -129.06 156.82 43.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.014 0.435 . . . . 0.0 111.043 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -51.76 142.87 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.572 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -61.0 -39.34 89.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.902 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 -60.0 -46.67 88.72 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.973 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -64.54 -41.44 96.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.159 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.486 ' CE1' ' NZ ' ' A' ' 88' ' ' LYS . 89.6 t80 -59.89 -48.4 81.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.503 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.4 94.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.521 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -62.2 -41.66 98.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.556 ' OE2' ' O ' ' A' ' 88' ' ' LYS . 54.1 tp10 -61.97 -41.97 98.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.563 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.597 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 28.1 ttt -60.5 -44.79 95.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.573 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.517 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 98.5 m-20 -60.85 -38.48 85.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.507 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.59 ' NH1' ' CD1' ' A' ' 89' ' ' LEU . 79.8 ttt180 -59.84 -37.16 78.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.765 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.93 -39.21 84.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.334 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.597 ' OE1' ' O ' ' A' ' 30' ' ' MET . 53.3 mp0 -61.9 -39.94 93.72 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.104 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 18.1 tppt? -60.97 -44.2 97.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.27 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.53 -39.15 89.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.525 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 76.7 t80 -57.99 -47.13 83.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.464 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.94 -39.26 81.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.776 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.23 8.18 43.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.191 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 1.7 mm? -113.03 86.82 2.45 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.911 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.565 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 59.4 p30 -67.9 141.05 56.51 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.22 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.45 6.99 88.8 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.651 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.591 ' CE2' ' HB2' ' A' ' 54' ' ' LYS . 99.7 m95 -118.4 140.75 49.37 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.692 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.655 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 79.8 m-85 -136.96 147.27 46.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.098 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 51' ' ' SER . 88.2 mt -116.87 141.88 47.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 68.9 m -115.68 129.03 56.33 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.368 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 t -65.91 -42.96 89.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.53 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.3 ptp -61.25 -29.7 70.0 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.959 0.409 . . . . 0.0 110.599 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.613 ' O ' ' C ' ' A' ' 50' ' ' ASP . 26.0 pttm -140.25 54.46 1.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.363 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.613 ' C ' ' O ' ' A' ' 49' ' ' LYS . 38.9 t0 -17.81 86.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.986 0.422 . . . . 0.0 110.263 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.5 t -148.39 147.07 28.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.947 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.508 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -112.42 144.33 42.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.233 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.655 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.1 p90 -148.97 160.49 43.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.989 0.423 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.591 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 87.3 tttt -131.5 133.83 45.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.873 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -107.35 128.75 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.69 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CZ ' ' HE2' ' A' ' 54' ' ' LYS . 27.4 m-85 -104.5 -14.11 15.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.58 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.99 -9.71 77.08 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 14.4 mptt -115.39 -31.92 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 0.0 110.162 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.576 ' CD1' HG23 ' A' ' 61' ' ' ILE . 51.8 p90 -152.51 159.85 43.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.331 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.544 ' HB2' ' NE ' ' A' ' 79' ' ' ARG . 88.9 tt0 -103.41 128.89 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.107 0.48 . . . . 0.0 111.458 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.576 HG23 ' CD1' ' A' ' 59' ' ' TYR . 44.1 pt -126.81 135.18 64.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.784 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.615 ' NH2' ' NE2' ' A' ' 73' ' ' HIS . 9.9 ptp85 -142.32 157.53 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.49 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.613 ' CB ' ' CE1' ' A' ' 91' ' ' PHE . 3.5 mp -119.73 144.47 47.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.902 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.1 p -147.87 163.75 35.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.008 0.432 . . . . 0.0 110.904 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.543 ' ND2' ' ND1' ' A' ' 66' ' ' HIS . 48.7 t30 -57.82 -161.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.607 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.543 ' ND1' ' ND2' ' A' ' 65' ' ' ASN . 53.3 p-80 -62.48 -19.91 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.617 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.2 m -93.63 125.57 38.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.355 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.525 ' HB1' ' ND2' ' A' ' 83' ' ' ASN . . . -114.36 23.25 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.911 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.0 p30 -68.6 -10.29 55.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.745 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -92.39 -0.4 57.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.467 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.539 ' HB3' ' ND2' ' A' ' 83' ' ' ASN . 65.0 pttt -64.2 -21.22 66.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.538 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -74.32 148.18 41.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.615 ' NE2' ' NH2' ' A' ' 62' ' ' ARG . 97.6 m-70 -129.34 148.5 51.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.564 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.514 ' C ' HD11 ' A' ' 75' ' ' LEU . 98.5 m-20 -61.27 -39.56 90.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.636 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.601 ' N ' ' CD1' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -145.82 162.03 38.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.86 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -73.29 146.1 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.516 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -93.9 0.47 56.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.52 2.2 90.42 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.544 ' NE ' ' HB2' ' A' ' 60' ' ' GLU . 41.5 ptt180 -134.99 161.17 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.755 0.312 . . . . 0.0 110.474 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.576 ' CD2' ' O ' ' A' ' 114' ' ' TYR . 3.9 mm? -59.58 143.93 48.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.509 ' CG2' HH12 ' A' ' 62' ' ' ARG . 50.9 mm -116.8 126.54 74.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.49 ' CG1' HG22 ' A' ' 117' ' ' ILE . 78.0 t -118.42 124.33 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.759 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.539 ' ND2' ' HB3' ' A' ' 71' ' ' LYS . 64.5 t30 -106.75 112.04 24.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.389 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 87.5 mt -106.09 125.31 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.942 0.401 . . . . 0.0 110.738 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.445 ' HD2' ' HB3' ' A' ' 68' ' ' ALA . 59.9 mtpt -103.14 131.77 49.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.275 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.464 ' CB ' HG21 ' A' ' 94' ' ' ILE . . . -155.11 153.67 31.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.729 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 91' ' ' PHE . 69.8 m -68.83 149.72 48.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.36 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.556 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 62.2 mtpt -61.7 -40.4 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.546 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.595 ' CD1' ' O ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -64.56 -42.25 95.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.62 18.43 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.302 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.613 ' CE1' ' CB ' ' A' ' 63' ' ' LEU . 93.1 t80 -58.32 -49.04 78.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.028 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.8 -37.3 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.159 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.39 -39.63 93.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.785 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.534 HG13 ' CG ' ' A' ' 98' ' ' LYS . 3.8 tp -63.29 -29.43 47.21 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.418 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.523 HG23 ' CD1' ' A' ' 99' ' ' LEU . 77.2 mt -61.57 -44.32 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.41 -47.46 86.0 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.379 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.542 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 34.7 m120 -75.18 -40.81 59.13 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.594 ' NZ ' ' O ' ' A' ' 120' ' ' THR . 74.5 mmtt -65.78 -41.76 91.63 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.966 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.523 ' CD1' HG23 ' A' ' 95' ' ' ILE . 74.8 mt -63.34 -40.22 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.326 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.56 -39.78 94.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.732 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.8 mmtt -63.54 -39.27 93.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.212 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.584 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.29 -43.18 31.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.759 -179.286 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.525 ' O ' HG21 ' A' ' 106' ' ' ILE . 34.8 mm -61.75 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.39 -43.43 94.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.993 0.425 . . . . 0.0 110.569 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.4 mtpt -63.14 -40.83 98.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.172 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 107' ' ' ASP . 18.0 tt -70.09 -30.5 44.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.662 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.556 ' N ' HG23 ' A' ' 106' ' ' ILE . 98.5 m-20 -61.77 -39.94 93.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -73.12 -38.22 66.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.153 0.501 . . . . 0.0 109.848 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.589 HD11 ' CE1' ' A' ' 114' ' ' TYR . 0.9 OUTLIER -156.98 149.62 23.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.691 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.41 148.87 51.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.554 HD21 ' CG ' ' A' ' 59' ' ' TYR . 8.5 mp -68.41 -7.21 29.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.289 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.516 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 98.4 m-20 -60.54 -36.19 77.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.452 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.553 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 68.4 mttm -63.78 -39.05 93.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.386 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.589 ' CE1' HD11 ' A' ' 109' ' ' LEU . 52.2 m-85 -76.08 146.11 39.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.485 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.559 ' HB2' ' N ' ' A' ' 132' ' ' GLY . 10.6 mpt_? -113.87 -33.41 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.71 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.459 ' HD2' ' CD1' ' A' ' 129' ' ' TYR . 87.3 t80 -139.23 126.55 21.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.01 0.433 . . . . 0.0 110.796 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.545 ' CD1' ' HB3' ' A' ' 114' ' ' TYR . 1.3 mp -126.87 137.31 58.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.26 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.511 ' O ' HG13 ' A' ' 126' ' ' ILE . 67.2 t30 -138.38 111.22 7.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.69 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.504 ' CB ' HG12 ' A' ' 84' ' ' ILE . . . -95.6 146.08 24.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.739 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.594 ' O ' ' NZ ' ' A' ' 98' ' ' LYS . 9.9 m -127.4 160.32 31.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.155 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 124' ' ' HIS . 32.6 m120 -38.41 150.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.459 HD12 ' HG3' ' A' ' 123' ' ' GLU . 4.0 pp -46.87 -27.9 1.4 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.734 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.459 ' HG3' HD12 ' A' ' 122' ' ' LEU . 99.0 mt-10 -66.08 -33.9 76.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.226 0.536 . . . . 0.0 109.574 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.54 ' HB2' ' CG2' ' A' ' 120' ' ' THR . 78.1 m80 -100.91 164.54 11.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.432 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.35 170.63 8.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.509 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 118' ' ' ASN . 21.2 tt -108.7 135.47 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.049 0.452 . . . . 0.0 110.217 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.428 ' HG2' ' HB ' ' A' ' 139' ' ' VAL . 60.5 mtpt -124.64 148.08 48.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.363 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 138' ' ' GLU . 31.1 p -136.45 164.51 27.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.865 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.48 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.2 m-85 -117.28 138.71 51.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.063 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.597 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 69.1 t80 -59.87 -48.75 80.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.676 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.597 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 68.8 mttm -115.78 9.79 15.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.565 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.559 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 93.82 -15.95 61.94 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.535 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 82.8 t80 -161.89 115.72 1.87 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 23.4 ttmm 173.13 163.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.452 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.507 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 12.3 t -68.32 -21.83 64.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.981 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -82.83 128.7 34.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.465 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -150.73 158.46 44.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.62 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.593 ' HB3' ' SG ' ' A' ' 128' ' ' CYS . 88.9 tt0 -126.61 129.56 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.526 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 126' ' ' ILE . 11.6 p -139.28 141.68 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.531 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.497 HD11 ' NZ ' ' A' ' 101' ' ' LYS . 13.1 tt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.606 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 ttp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.95 92.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.648 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -60.71 -27.5 67.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.38 -40.16 98.26 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -89.83 -4.24 57.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.739 0.304 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m 64.46 -149.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.407 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -91.23 70.16 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.4 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 57.0 31.89 20.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.32 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.7 m120 54.18 39.5 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.367 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.5 t 44.26 -156.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.784 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -69.86 -15.53 63.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.53 ' NE ' ' NH1' ' A' ' 14' ' ' ARG . 78.5 ttt-85 -60.89 127.37 31.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.737 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -157.25 129.88 7.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.695 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.53 ' NH1' ' NE ' ' A' ' 12' ' ' ARG . 84.0 mtt85 -138.74 151.26 46.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.956 0.408 . . . . 0.0 111.005 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.481 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 9.8 t 77.32 174.87 0.19 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.899 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -130.54 150.17 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.628 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 99.2 m-20 -61.56 -39.56 91.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.609 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 99.5 mtt180 67.49 -159.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.407 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m 56.51 38.13 29.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.836 0.35 . . . . 0.0 110.41 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.44 -39.15 92.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.797 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HG2' ' HG3' ' A' ' 22' ' ' GLN . 86.1 tttt -140.59 146.31 37.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.283 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.535 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 26.0 mt-30 65.24 34.07 8.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.53 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 4.5 tmt_? -62.51 -41.69 99.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.792 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -60.49 -25.61 66.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.507 ' CD ' ' HB3' ' A' ' 22' ' ' GLN . 98.9 mt-10 -62.7 -39.71 94.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.454 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.12 -38.71 91.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.74 95.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.475 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.45 -39.78 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.293 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.533 ' HG2' ' CD2' ' A' ' 89' ' ' LEU . 98.3 mt-10 -62.67 -39.33 93.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.403 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.0 mtt -62.35 -40.62 97.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.83 -41.24 97.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.28 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 89' ' ' LEU . 43.6 ttm180 -63.07 -42.14 99.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.28 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.83 -43.28 98.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.498 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.8 -40.3 94.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.083 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -63.09 -39.59 95.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.118 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 40' ' ' LEU . . . -61.54 -39.31 90.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.68 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.451 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 77.6 t80 -57.89 -47.48 82.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.45 -38.43 84.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.64 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.514 ' C ' HD22 ' A' ' 40' ' ' LEU . 57.8 t30 -96.27 14.61 23.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.328 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.579 ' CD2' ' O ' ' A' ' 36' ' ' ALA . 2.3 mm? -117.98 88.3 2.89 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.769 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 67.5 t0 -67.42 131.7 46.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.079 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 85.63 8.91 79.5 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.029 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.6 ' CD2' ' HB2' ' A' ' 54' ' ' LYS . 94.3 m95 -118.8 138.06 52.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.929 0.364 . . . . 0.0 110.793 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.648 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 81.6 m-85 -137.68 146.14 43.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.686 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.499 ' HA ' ' O ' ' A' ' 51' ' ' SER . 2.7 mp -120.69 142.53 49.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.496 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -120.26 129.32 54.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.679 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.586 ' OG ' ' CE ' ' A' ' 48' ' ' MET . 89.7 p -64.25 -31.18 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.669 ' SD ' ' N ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -62.51 -40.23 96.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.694 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.62 ' O ' ' C ' ' A' ' 50' ' ' ASP . 15.2 ptpt -122.41 39.42 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.604 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.62 ' C ' ' O ' ' A' ' 49' ' ' LYS . 68.1 t0 0.56 69.55 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.44 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 49' ' ' LYS . 97.4 p -154.81 164.19 39.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.665 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -121.49 150.89 40.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.156 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.648 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.1 p90 -145.9 159.76 42.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.187 0.517 . . . . 0.0 111.251 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.6 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 87.3 tttt -133.06 130.86 39.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.457 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 67.0 t0 -109.7 106.22 15.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.673 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.597 ' CZ ' ' NZ ' ' A' ' 54' ' ' LYS . 34.3 m-85 -78.31 -14.56 59.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.272 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 92.99 -9.55 75.13 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' C ' ' NH2' ' A' ' 79' ' ' ARG . 2.1 mptp? -114.07 -30.62 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.037 0.446 . . . . 0.0 110.041 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.617 ' N ' ' NH2' ' A' ' 79' ' ' ARG . 51.0 p90 -153.08 158.45 41.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.549 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.579 ' OE2' ' NH2' ' A' ' 62' ' ' ARG . 88.8 tt0 -99.9 130.0 46.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.112 0.482 . . . . 0.0 111.397 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 59' ' ' TYR . 45.4 pt -130.11 138.21 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.038 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.579 ' NH2' ' OE2' ' A' ' 60' ' ' GLU . 10.0 ptp180 -139.83 156.65 46.62 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.464 -0.495 . . . . 0.0 111.296 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.511 ' CD1' ' HB ' ' A' ' 84' ' ' ILE . 8.1 mp -113.11 147.78 36.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.171 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.526 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 92.9 p -145.77 162.74 36.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.087 0.47 . . . . 0.0 110.892 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 66' ' ' HIS . 14.7 t-20 -69.25 -175.82 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.462 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.582 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 56.3 t-80 -58.96 -46.15 88.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.8 m -65.87 141.93 58.09 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.46 ' HA ' ' HB2' ' A' ' 71' ' ' LYS . . . -99.59 16.89 21.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.21 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.73 -40.01 90.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.537 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.622 ' O ' ' CE1' ' A' ' 73' ' ' HIS . 57.9 t30 -104.82 3.58 31.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.606 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.561 ' NZ ' ' CG ' ' A' ' 85' ' ' LYS . 25.0 ttmm -60.62 -44.52 96.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.356 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -74.69 139.01 43.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.048 0.451 . . . . 0.0 110.899 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.622 ' CE1' ' O ' ' A' ' 70' ' ' ASN . 78.7 m80 -138.09 150.08 46.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.374 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -89.78 102.15 14.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.302 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.571 ' CD2' ' OE1' ' A' ' 60' ' ' GLU . 67.3 tp -112.96 121.75 45.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.747 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -92.33 -3.82 54.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.455 ' ND2' HD11 ' A' ' 75' ' ' LEU . 99.5 m-20 -63.45 -34.95 78.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.995 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.89 -0.09 79.52 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.617 ' NH2' ' N ' ' A' ' 59' ' ' TYR . 9.6 ptm85 -75.62 159.18 31.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.58 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.585 ' CD2' ' O ' ' A' ' 114' ' ' TYR . 3.0 tm? -60.54 130.14 45.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.496 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.512 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 84.9 mt -115.36 124.66 72.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.542 ' CG1' HG23 ' A' ' 117' ' ' ILE . 88.1 t -118.18 124.79 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.156 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.576 ' OD1' ' CG ' ' A' ' 62' ' ' ARG . 83.6 m-20 -107.26 134.58 50.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.735 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.535 ' CG2' ' HG3' ' A' ' 98' ' ' LYS . 85.6 mt -119.78 125.59 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.391 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.582 ' CE ' ' O ' ' A' ' 66' ' ' HIS . 61.8 mtpt -98.28 131.11 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.568 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.528 ' CB ' HG12 ' A' ' 94' ' ' ILE . . . -160.09 153.19 21.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 111.164 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.3 t -67.47 146.93 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.325 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.498 ' NZ ' HD21 ' A' ' 65' ' ' ASN . 63.1 mttp -60.5 -40.19 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 110.148 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.533 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 86.9 mt -63.48 -39.42 94.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.107 0.48 . . . . 0.0 109.957 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -104.12 19.26 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.247 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 87' ' ' SER . 88.0 t80 -58.31 -48.74 79.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.811 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.515 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 7.5 p -66.42 -38.2 81.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 110.399 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.87 -39.26 93.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.555 HG21 ' N ' ' A' ' 95' ' ' ILE . 7.8 tp -61.89 -29.99 47.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.934 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.593 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -70.82 -29.47 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.795 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.565 ' N ' HG13 ' A' ' 95' ' ' ILE . 88.9 tt0 -64.04 -44.37 92.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.986 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.517 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 27.7 t-20 -85.81 -47.37 9.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.698 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.538 ' NZ ' ' O ' ' A' ' 120' ' ' THR . 73.8 mmtt -64.22 -41.28 97.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.521 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.604 ' CD2' ' CD1' ' A' ' 103' ' ' ILE . 7.5 tt -65.89 -40.75 91.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.22 0.534 . . . . 0.0 110.027 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -64.13 -40.4 96.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.584 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 73.4 mmtt -62.92 -40.06 96.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.941 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.592 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 39.8 pt -72.43 -33.28 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.604 ' CD1' ' CD2' ' A' ' 99' ' ' LEU . 88.0 mt -62.25 -46.03 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.604 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.414 ' HG2' ' HZ2' ' A' ' 108' ' ' LYS . 88.9 tt0 -64.2 -42.45 96.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.214 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.553 ' O ' HD22 ' A' ' 109' ' ' LEU . 98.1 mttt -62.39 -40.51 96.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.711 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.573 ' CD1' ' OH ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -62.9 -38.14 81.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.965 0.412 . . . . 0.0 111.002 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.9 -41.43 96.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.311 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.515 ' C ' HD12 ' A' ' 109' ' ' LEU . 63.4 mttp -72.96 -37.79 66.96 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.149 0.499 . . . . 0.0 109.839 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.627 ' N ' ' CD1' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -156.35 178.48 10.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.504 ' H ' ' NZ ' ' A' ' 113' ' ' LYS . 97.7 m-20 -103.33 143.31 32.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.481 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.469 ' CD1' HG13 ' A' ' 106' ' ' ILE . 8.5 mp -63.75 -12.24 33.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 110.167 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -59.84 -40.88 90.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.573 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.504 ' NZ ' ' H ' ' A' ' 110' ' ' ASP . 37.4 mtmm -64.42 -39.4 93.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.996 0.427 . . . . 0.0 110.66 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.585 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 92.8 m-85 -72.23 138.98 47.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.661 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.568 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 22.5 tpp180 -86.28 -44.5 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.223 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' A' ' 118' ' ' ASN . 91.5 t80 -150.87 131.35 13.81 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.178 0.513 . . . . 0.0 111.771 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.587 HG13 ' SG ' ' A' ' 128' ' ' CYS . 1.3 mp -128.24 137.96 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.299 178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 66.5 t30 -135.01 113.91 11.94 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.188 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.473 ' CB ' HG12 ' A' ' 84' ' ' ILE . . . -82.75 152.2 25.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.588 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 63.9 p -126.77 161.44 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.347 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.571 ' O ' ' O ' ' A' ' 120' ' ' THR . 26.9 m120 -39.55 171.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.743 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.53 -40.33 91.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.37 -34.85 78.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.144 0.497 . . . . 0.0 109.662 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.528 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 79.6 m80 -83.3 157.94 22.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.656 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.588 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.0 m-20 -98.99 168.92 9.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.266 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.506 HG23 ' NZ ' ' A' ' 105' ' ' LYS . 19.9 tt -108.14 134.26 50.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.986 0.422 . . . . 0.0 110.05 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -119.64 139.42 52.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.629 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.587 ' SG ' HG13 ' A' ' 117' ' ' ILE . 84.3 m -121.53 141.0 51.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.462 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 97.9 m-85 -114.31 132.43 56.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.448 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.571 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 74.1 t80 -60.3 -48.75 80.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.571 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 99.6 mttt -115.65 8.76 15.1 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.394 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.532 ' N ' ' HB3' ' A' ' 115' ' ' ARG . . . 93.45 -15.07 63.83 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.518 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 81.6 t80 -162.39 115.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.541 ' HG2' ' N ' ' A' ' 135' ' ' THR . 65.0 tttm 175.39 164.88 0.31 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.49 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.541 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 82.3 p -68.86 -22.34 64.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.594 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.463 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 63.8 tttm -93.16 120.53 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.6 pttt -150.33 158.96 44.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.211 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -118.02 146.02 44.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.371 . . . . 0.0 110.699 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.6 p -139.95 142.37 32.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.536 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.532 ' CG2' ' OXT' ' A' ' 140' ' ' ILE . 89.3 mt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mtm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.18 141.91 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.547 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -146.07 114.55 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.268 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.85 -0.59 77.39 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.541 ' HE2' ' NH1' ' A' ' 7' ' ' ARG . 22.3 ptmt -159.43 160.31 34.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.33 -0.435 . . . . 0.0 110.316 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.513 ' OG ' ' HB2' ' A' ' 9' ' ' ASN . 89.5 p -150.93 38.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.418 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.599 ' O ' ' CB ' ' A' ' 8' ' ' TYR . 89.9 mmt-85 60.73 43.58 12.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.599 ' CB ' ' O ' ' A' ' 7' ' ' ARG . 40.4 t80 93.26 64.16 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.183 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.591 ' ND2' ' O ' ' A' ' 11' ' ' TYR . 65.5 t30 -61.85 135.79 57.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.619 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -60.47 -43.41 96.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.62 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.591 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 97.6 m-85 -110.23 134.31 52.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.454 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -139.74 138.41 35.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.662 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.03 130.74 47.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.344 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.417 HH21 ' HZ ' ' A' ' 16' ' ' PHE . 79.4 ttt180 -97.84 125.28 42.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.413 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t -149.39 147.57 28.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.649 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' HZ ' HH21 ' A' ' 14' ' ' ARG . 99.1 m-85 -116.87 141.63 47.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.666 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -84.86 82.14 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.251 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HD3' ' C ' ' A' ' 18' ' ' ARG . 2.6 tmt_? -118.08 131.86 56.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 19.5 t 68.43 -143.24 0.11 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.721 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 62.93 18.07 10.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' HG2' ' HG3' ' A' ' 22' ' ' GLN . 22.9 ttmm -164.76 139.3 5.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.417 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.56 ' OE1' ' OE1' ' A' ' 25' ' ' GLU . 77.1 mt-30 55.71 41.99 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.011 0.434 . . . . 0.0 110.243 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -61.42 -39.62 91.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.222 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 2.4 mpt_? -59.94 -39.48 85.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.015 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.56 ' OE1' ' OE1' ' A' ' 22' ' ' GLN . 98.8 mt-10 -61.95 -39.76 93.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.488 ' HD1' ' O ' ' A' ' 22' ' ' GLN . 82.5 m-85 -64.76 -38.56 91.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.38 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.1 92.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.07 -39.91 96.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.341 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' A' ' 89' ' ' LEU . 98.2 mt-10 -62.94 -39.51 94.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.539 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.41 -40.79 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.566 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.97 -40.94 97.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.292 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.578 ' NH1' ' O ' ' A' ' 89' ' ' LEU . 79.8 ttt180 -62.02 -43.1 99.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.474 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.466 HD21 ' CD2' ' A' ' 45' ' ' LEU . 61.6 tp -60.98 -43.97 98.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.65 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.5 -39.91 95.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -61.08 -44.53 97.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.316 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.586 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . -61.57 -39.59 91.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.421 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.656 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 85.1 t80 -57.43 -46.71 83.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.319 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.83 -39.77 82.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.775 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.466 ' C ' HD13 ' A' ' 40' ' ' LEU . 98.5 m-20 -99.48 11.32 39.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.781 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.59 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 2.3 mp -105.65 91.69 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.869 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 67.1 t0 -67.24 131.66 46.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.826 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 77.88 21.76 70.61 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.647 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 89.5 m95 -117.58 135.95 53.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.562 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.667 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 78.2 m-85 -138.5 146.1 41.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.756 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.656 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 2.8 mp -124.67 144.6 50.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.627 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 t -120.02 129.08 54.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.475 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -64.23 -41.2 97.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.0 mmt -63.09 -40.16 96.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.459 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.617 ' O ' ' C ' ' A' ' 50' ' ' ASP . 58.0 mtmt -114.79 38.88 3.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.253 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.0 t0 -10.36 79.28 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.094 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 49' ' ' LYS . 96.7 p -155.82 163.79 39.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.665 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.603 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -114.83 140.56 48.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.426 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.667 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.3 p90 -151.99 163.93 38.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.526 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.647 ' CE ' ' CZ2' ' A' ' 43' ' ' TRP . 19.5 ptpt -137.1 155.95 48.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.7 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -108.01 102.97 12.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.299 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.607 ' CD2' ' OH ' ' A' ' 59' ' ' TYR . 1.6 m-30 -81.66 -16.1 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.231 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.79 -12.23 70.33 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.559 ' NZ ' ' OD2' ' A' ' 110' ' ' ASP . 63.4 mtpt -115.66 -33.2 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 0.0 110.124 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.651 ' CZ ' HD11 ' A' ' 111' ' ' LEU . 42.1 p90 -156.6 160.7 39.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.241 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.599 ' OE1' ' ND2' ' A' ' 77' ' ' ASN . 88.6 tt0 -113.13 130.6 56.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.963 0.411 . . . . 0.0 111.11 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.457 HG23 HG23 ' A' ' 82' ' ' VAL . 44.8 pt -123.5 138.0 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.479 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.589 ' NH1' ' O ' ' A' ' 71' ' ' LYS . 8.9 ptm180 -139.67 157.35 45.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.458 . . . . 0.0 110.982 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.613 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 1.8 mp -111.09 148.22 33.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.061 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.547 ' OG ' ' OD1' ' A' ' 83' ' ' ASN . 93.8 p -147.52 170.61 17.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 -179.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 65' ' ' ASN . 53.0 p30 -76.62 -168.86 1.09 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.138 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 74.2 m80 -59.64 -39.62 84.97 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.3 m -102.9 93.8 5.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.088 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.537 ' HA ' ' CG ' ' A' ' 71' ' ' LYS . . . -103.11 8.88 38.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.606 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.48 -39.1 92.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.293 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.519 ' OD1' ' HG2' ' A' ' 71' ' ' LYS . 54.2 p30 -83.68 -1.46 54.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.102 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.589 ' O ' ' NH1' ' A' ' 62' ' ' ARG . 16.7 ptpt -138.9 28.25 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.716 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.642 ' OH ' ' CE1' ' A' ' 116' ' ' PHE . 82.2 t80 -141.35 141.96 33.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.396 . . . . 0.0 110.779 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.559 ' NE2' ' CD1' ' A' ' 81' ' ' ILE . 53.0 p-80 -140.96 164.64 29.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.505 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.485 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 68.0 t0 -59.76 -46.72 88.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.435 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.586 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 1.3 pp 168.01 99.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.102 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.546 ' H ' ' CD2' ' A' ' 73' ' ' HIS . 99.5 mt-10 -109.51 -8.23 15.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.463 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.635 ' O ' ' CZ ' ' A' ' 79' ' ' ARG . 89.7 m-20 -93.12 -3.43 54.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.308 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.511 ' C ' ' HD3' ' A' ' 79' ' ' ARG . . . 80.03 1.6 87.82 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.635 ' CZ ' ' O ' ' A' ' 77' ' ' ASN . 1.9 mpp_? -127.12 161.8 27.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 110.231 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.611 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 97.8 mt -59.94 145.09 47.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.953 0.406 . . . . 0.0 110.65 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.577 HG21 ' CE1' ' A' ' 72' ' ' TYR . 88.5 mt -121.32 127.32 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.386 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.541 ' CG2' ' HB ' ' A' ' 117' ' ' ILE . 85.3 t -112.71 119.0 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.763 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.566 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 50.1 t30 -95.41 107.35 19.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.633 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.546 ' CD1' ' HD2' ' A' ' 98' ' ' LYS . 3.6 mp -109.12 118.58 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.237 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 64' ' ' SER . 99.7 mttt -85.15 129.64 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.633 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.47 ' HB3' HG12 ' A' ' 94' ' ' ILE . . . -159.61 156.04 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.648 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.465 ' HB2' ' OD1' ' A' ' 90' ' ' ASN . 68.9 m -68.83 149.33 49.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -60.49 -42.49 96.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.578 ' O ' ' NH1' ' A' ' 32' ' ' ARG . 3.3 pp -73.98 -20.32 60.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.466 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.482 ' ND2' ' CD1' ' A' ' 89' ' ' LEU . 34.3 m120 -101.65 11.67 38.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.603 ' CZ ' ' CB ' ' A' ' 52' ' ' ALA . 91.7 t80 -59.3 -48.74 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.792 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.554 ' O ' ' OE1' ' A' ' 96' ' ' GLU . 57.2 t -62.36 -44.9 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.6 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -61.22 -42.88 99.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.991 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.551 HG22 ' N ' ' A' ' 95' ' ' ILE . 4.6 tp -61.74 -28.55 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.461 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.551 ' N ' HG22 ' A' ' 94' ' ' ILE . 87.9 mt -60.39 -45.21 96.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.302 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.554 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 53.3 mp0 -62.28 -43.7 98.22 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.348 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.55 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 29.6 t-20 -72.61 -48.99 35.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.928 0.394 . . . . 0.0 111.631 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.546 ' HD2' ' CD1' ' A' ' 84' ' ' ILE . 29.2 ttpp -64.24 -43.23 95.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.432 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.571 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 2.5 tt -59.51 -42.69 92.79 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.38 -39.14 93.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.822 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.1 mmtp -64.24 -39.71 94.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.786 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.571 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 42.9 pt -72.82 -39.32 59.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.912 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.524 ' N ' HG13 ' A' ' 102' ' ' ILE . 32.6 mm -63.05 -47.51 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.536 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.535 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 43.8 tt0 -63.54 -43.47 97.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.527 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.652 ' NZ ' ' SG ' ' A' ' 128' ' ' CYS . 40.9 ttmt -61.77 -43.93 97.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.766 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.547 ' CD1' ' OH ' ' A' ' 59' ' ' TYR . 78.8 mt -61.45 -43.31 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.458 . . . . 0.0 112.202 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.99 -41.45 92.09 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.464 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.535 ' NZ ' ' HG2' ' A' ' 104' ' ' GLU . 38.3 mtmm -91.5 -26.89 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.657 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.586 ' CD1' ' OH ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -157.11 116.04 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.322 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.559 ' OD2' ' NZ ' ' A' ' 58' ' ' LYS . 57.0 t0 -62.98 139.52 58.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.651 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 87.2 mt -61.71 -38.13 86.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.16 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.558 ' HA ' ' CD1' ' A' ' 80' ' ' LEU . 64.8 t0 -50.6 -23.31 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.08 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 33.0 mmtp -65.63 -38.05 88.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.94 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.61 ' CE2' ' OE1' ' A' ' 138' ' ' GLU . 53.4 m-85 -86.94 120.85 28.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.372 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.517 ' HD2' ' O ' ' A' ' 131' ' ' LYS . 43.3 ttm180 -63.9 -41.97 97.56 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.394 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.642 ' CE1' ' OH ' ' A' ' 72' ' ' TYR . 78.3 t80 -130.0 127.44 40.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.616 ' CG2' ' SG ' ' A' ' 128' ' ' CYS . 0.5 OUTLIER -132.51 141.65 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.625 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.566 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 53.9 t-20 -148.81 111.57 4.8 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.58 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.544 ' CB ' HG13 ' A' ' 84' ' ' ILE . . . -83.61 155.25 23.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.549 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.593 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 47.3 p -126.7 161.58 27.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.276 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.569 ' O ' ' O ' ' A' ' 120' ' ' THR . 22.6 m120 -39.97 171.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.571 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.65 -40.13 90.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.523 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.6 -34.78 78.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.025 0.441 . . . . 0.0 109.899 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.527 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 99.0 m-70 -84.1 159.82 21.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.638 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.593 ' O ' ' OG1' ' A' ' 120' ' ' THR . 15.7 t0 -98.83 170.65 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.204 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.497 ' O ' HG13 ' A' ' 139' ' ' VAL . 18.6 tt -108.32 132.5 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.453 . . . . 0.0 110.305 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.4 ' HE3' ' HZ2' ' A' ' 137' ' ' LYS . 59.9 mtpt -120.57 139.02 53.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.848 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.652 ' SG ' ' NZ ' ' A' ' 105' ' ' LYS . 69.0 m -127.7 147.8 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.361 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.464 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 77.9 m-85 -117.28 135.36 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.6 t80 -59.75 -49.4 77.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.768 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.517 ' O ' ' HD2' ' A' ' 115' ' ' ARG . 11.5 ptmm? -118.11 14.34 14.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.442 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.464 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.04 -12.69 68.36 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.529 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.8 t80 -162.01 116.16 1.87 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 56.6 tptt 174.36 160.44 0.18 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.475 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.529 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 82.8 p -69.15 -18.02 63.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.11 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.452 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 24.0 tptm -91.34 120.01 31.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.689 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.2 pttt -150.55 158.96 44.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.216 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.61 ' OE1' ' CE2' ' A' ' 114' ' ' TYR . 51.4 mp0 -120.38 133.71 55.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.317 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.574 ' CG1' ' OD2' ' A' ' 125' ' ' ASP . 86.2 t -126.86 128.73 71.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.567 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.498 ' O ' ' HD1' ' A' ' 3' ' ' TYR . 66.9 ttp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.59 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -61.97 -40.74 96.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.748 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.498 ' HD1' ' O ' ' A' ' 1' ' ' MET . 41.6 m-85 57.8 -71.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.712 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 59.08 -130.57 51.1 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.546 ' NZ ' ' CZ ' ' A' ' 8' ' ' TYR . 65.2 pttt -60.94 -22.43 64.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.698 0.285 . . . . 0.0 110.606 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t 60.99 59.12 2.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.614 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.426 ' HB3' ' HG3' ' A' ' 12' ' ' ARG . 89.4 mmt-85 57.97 43.18 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.638 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.546 ' CZ ' ' NZ ' ' A' ' 5' ' ' LYS . 92.2 m-85 62.82 27.95 16.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.705 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.7 t30 53.83 43.96 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.639 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.8 p -153.39 162.42 41.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' OH ' ' CD ' ' A' ' 13' ' ' LYS . 86.7 t80 -61.92 126.98 29.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.704 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.528 ' HD2' ' O ' ' A' ' 11' ' ' TYR . 31.6 mmm180 -149.25 2.01 0.55 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.575 ' CD ' ' OH ' ' A' ' 11' ' ' TYR . 31.0 mttt 46.37 -161.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.286 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.512 HH12 ' NH2' ' A' ' 23' ' ' ARG . 6.5 ptm180 -125.77 95.66 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 110.519 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.6 m -130.24 149.77 51.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.495 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.25 133.18 55.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.492 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.0 m120 44.97 -135.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.377 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -61.48 -43.64 98.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.515 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.0 t 56.13 179.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.382 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -135.49 147.62 48.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -71.73 151.29 43.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.819 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 60.07 63.3 1.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.461 -0.495 . . . . 0.0 109.909 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.512 ' NH2' HH12 ' A' ' 14' ' ' ARG . 9.3 ptm180 -53.79 -22.36 9.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.895 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 62.6 ttm-85 -60.09 -46.01 91.02 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.574 ' OE2' ' CG ' ' A' ' 29' ' ' GLU . 16.5 tm-20 -64.73 -40.5 95.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.994 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -59.78 -48.41 81.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.536 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.8 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 30.7 mm100 -63.03 -39.68 95.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.334 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.574 ' CG ' ' OE2' ' A' ' 25' ' ' GLU . 78.5 mm-40 -62.54 -39.53 93.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.466 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.5 tpp -60.66 -45.47 94.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.326 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.529 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 98.4 m-20 -61.84 -39.98 93.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.259 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' HD3' ' C ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -61.31 -42.11 98.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 179.648 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.652 ' CD1' ' CD2' ' A' ' 91' ' ' PHE . 4.2 tt -60.38 -45.37 93.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.03 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.49 -41.77 94.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.676 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.55 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -61.03 -37.99 84.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 40' ' ' LEU . . . -60.35 -39.93 88.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.57 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.646 ' CG ' ' CD1' ' A' ' 45' ' ' LEU . 65.4 m-85 -64.44 -37.57 87.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.31 -38.86 88.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.347 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -98.1 8.45 44.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.751 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.58 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 1.4 mm? -106.06 110.25 22.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.631 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.26 128.76 37.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.836 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.526 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 82.15 13.55 78.84 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 121.133 -0.556 . . . . 0.0 111.742 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.586 ' CZ2' ' HD2' ' A' ' 54' ' ' LYS . 90.3 m95 -118.11 128.52 54.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.959 0.409 . . . . 0.0 110.986 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.436 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 86.7 m-85 -140.52 151.08 44.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.683 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.646 ' CD1' ' CG ' ' A' ' 37' ' ' PHE . 2.6 mp -119.26 141.04 49.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.497 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 69.9 m -115.46 128.47 56.04 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.268 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -65.47 -45.06 85.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.679 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.4 ttp -59.23 -45.79 90.22 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.389 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -122.04 61.16 0.96 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.868 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.583 ' C ' ' O ' ' A' ' 49' ' ' LYS . 65.6 m-20 -24.88 90.01 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.233 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 49' ' ' LYS . 92.8 p -152.38 165.28 35.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.763 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . . . -108.64 138.22 45.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.633 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.668 ' CZ ' ' OE2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -107.24 137.47 45.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.839 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.626 ' CE ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -135.38 96.6 3.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.245 179.275 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -98.25 105.92 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.352 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.626 ' CZ ' ' CE ' ' A' ' 54' ' ' LYS . 89.5 m-85 -90.94 -8.36 49.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.03 0.443 . . . . 0.0 110.268 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.45 -10.74 73.53 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -115.38 -28.77 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.938 0.399 . . . . 0.0 110.404 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.581 ' CE1' HG23 ' A' ' 61' ' ' ILE . 52.5 p90 -155.79 161.89 40.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.575 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.668 ' OE2' ' CZ ' ' A' ' 53' ' ' TYR . 89.2 tt0 -113.33 123.76 50.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.581 HG23 ' CE1' ' A' ' 59' ' ' TYR . 47.4 pt -132.08 137.39 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.224 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.654 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 18.3 ptp180 -140.19 159.07 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.495 ' CB ' ' HE1' ' A' ' 91' ' ' PHE . 9.2 mp -105.44 153.29 21.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.345 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.566 ' OG ' ' OD1' ' A' ' 83' ' ' ASN . 94.3 p -148.8 163.46 37.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.067 0.461 . . . . 0.0 110.785 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.604 ' OD1' ' N ' ' A' ' 66' ' ' HIS . 16.3 t-20 -65.28 173.05 2.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.752 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.637 ' CD2' ' ND2' ' A' ' 121' ' ' ASN . 73.2 m80 -61.04 -38.93 87.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.7 m -63.83 149.6 46.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.039 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.471 ' CB ' ' HE2' ' A' ' 71' ' ' LYS . . . -84.33 12.71 6.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.219 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.24 -41.88 89.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.784 0.325 . . . . 0.0 110.409 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.45 ' HB2' ' HB2' ' A' ' 64' ' ' SER . 98.7 m-20 -92.1 2.43 56.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.479 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.493 ' HZ2' ' NZ ' ' A' ' 85' ' ' LYS . 25.2 ttmm -61.4 -41.48 97.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.013 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -67.4 143.93 56.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.92 0.39 . . . . 0.0 110.954 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.63 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 71.3 t60 -101.44 112.5 25.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.448 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.548 ' HB2' ' NZ ' ' A' ' 49' ' ' LYS . 68.2 t0 -60.93 -49.78 76.05 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.63 ' O ' ' NE2' ' A' ' 73' ' ' HIS . 67.0 tp -142.54 124.39 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.093 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.505 ' HA ' ' CD2' ' A' ' 73' ' ' HIS . 99.2 mt-10 -67.15 140.47 57.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.449 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.514 ' ND2' HH21 ' A' ' 79' ' ' ARG . 55.7 t30 -100.2 10.07 41.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.642 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.441 ' C ' ' HD3' ' A' ' 79' ' ' ARG . . . 81.82 2.01 90.41 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.514 HH21 ' ND2' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -125.91 158.93 33.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 110.605 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.598 ' CD1' ' O ' ' A' ' 114' ' ' TYR . 0.9 OUTLIER -56.42 147.21 22.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.0 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.44 ' H ' HD11 ' A' ' 80' ' ' LEU . 3.9 mp -117.2 127.44 74.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.588 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.598 ' CG2' ' CD1' ' A' ' 117' ' ' ILE . 50.6 t -116.25 121.65 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.805 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.574 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 64.9 t30 -97.03 108.91 21.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.71 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.47 HG23 ' HD2' ' A' ' 98' ' ' LYS . 84.4 mt -108.3 119.67 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.276 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 64' ' ' SER . 64.2 mttp -87.81 129.47 35.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.95 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -161.65 145.64 12.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.404 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.8 p -73.26 159.15 33.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.214 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.403 ' N ' ' CD ' ' A' ' 88' ' ' LYS . 1.8 mptp? -63.15 -40.6 98.02 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.498 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.525 ' CD2' ' OD1' ' A' ' 90' ' ' ASN . 9.9 tt -63.88 -43.08 97.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.701 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.525 ' OD1' ' CD2' ' A' ' 89' ' ' LEU . 98.6 m-20 -99.78 11.79 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.603 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.652 ' CD2' ' CD1' ' A' ' 33' ' ' LEU . 90.2 t80 -58.89 -48.68 80.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.553 ' O ' ' OE1' ' A' ' 96' ' ' GLU . 57.6 t -61.93 -44.95 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.496 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -61.03 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.954 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 91' ' ' PHE . 3.9 tp -61.01 -28.59 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.181 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.538 ' O ' ' HB2' ' A' ' 99' ' ' LEU . 88.4 mt -60.64 -46.55 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.467 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.553 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 60.6 mp0 -63.06 -44.38 95.97 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.78 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.535 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 65.2 t30 -72.37 -46.3 55.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.834 0.349 . . . . 0.0 111.631 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.521 ' CG ' HG13 ' A' ' 94' ' ' ILE . 75.0 mmtt -65.53 -40.3 92.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.981 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.568 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 9.4 mp -63.84 -43.24 96.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.14 0.495 . . . . 0.0 109.871 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.13 -39.41 94.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.762 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 48.4 mmtm -64.47 -39.47 93.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.587 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 44.2 pt -75.27 -39.22 42.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.091 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.537 ' N ' HG13 ' A' ' 102' ' ' ILE . 28.7 mm -62.04 -44.9 99.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.766 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.08 -42.67 99.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.257 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' A' ' 109' ' ' LEU . 98.1 mttt -62.41 -41.5 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.836 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.555 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 33.1 mm -62.97 -45.88 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-O 120.962 0.411 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.88 -42.37 98.98 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.699 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -74.3 -38.86 63.23 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.46 0.647 . . . . 0.0 109.936 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.555 ' O ' ' O ' ' A' ' 105' ' ' LYS . 3.0 pp -157.1 168.19 28.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.845 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.508 ' HB3' ' OD1' ' A' ' 112' ' ' ASP . 97.5 m-20 -85.4 128.34 34.68 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.506 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.602 ' CD2' ' N ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -79.32 -20.62 47.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.048 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.602 ' N ' ' CD2' ' A' ' 111' ' ' LEU . 59.3 p30 -69.14 -13.56 62.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.089 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 30.4 mtpp -64.67 -39.07 93.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.994 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 7.9 m-85 -73.02 128.97 37.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.793 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.557 ' CG ' ' HA ' ' A' ' 131' ' ' LYS . 42.2 mmt180 -63.69 -39.6 94.73 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.662 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -146.98 125.13 12.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.995 0.426 . . . . 0.0 111.466 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.598 ' CD1' ' CG2' ' A' ' 82' ' ' VAL . 30.6 pt -129.67 150.54 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.574 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 63.1 t-20 -147.19 113.5 5.91 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.876 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.474 ' HA ' HG13 ' A' ' 126' ' ' ILE . . . -83.0 152.79 25.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.943 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.561 ' O ' ' O ' ' A' ' 121' ' ' ASN . 6.4 m -124.72 156.33 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 0.0 110.54 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.637 ' ND2' ' CD2' ' A' ' 66' ' ' HIS . 41.0 m-80 -38.28 169.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.597 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.509 ' CD2' HD21 ' A' ' 97' ' ' ASN . 90.1 mt -61.41 -40.08 93.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.547 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.7 -35.81 81.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.229 0.538 . . . . 0.0 109.593 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.553 ' CB ' ' CG2' ' A' ' 120' ' ' THR . 99.1 m-70 -86.34 165.15 16.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.294 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 125' ' ' ASP . 54.5 p30 -96.22 172.35 8.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.397 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.505 HD12 ' NZ ' ' A' ' 105' ' ' LYS . 15.2 tt -109.97 133.03 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.71 139.26 52.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.712 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 137' ' ' LYS . 71.1 m -126.43 146.64 50.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.558 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.508 ' O ' ' HB3' ' A' ' 114' ' ' TYR . 98.4 m-85 -117.27 132.16 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.413 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -60.09 -49.11 78.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.643 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.557 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 17.6 ptmt -117.55 11.84 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.342 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.456 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.2 -12.06 70.29 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.522 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 87.8 t80 -162.37 116.73 1.82 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 133' ' ' PHE . 19.6 mtpt 171.52 165.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.9 0.381 . . . . 0.0 110.842 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 80.4 p -70.22 -22.0 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.435 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -88.57 120.64 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.1 pttt -150.74 158.73 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.537 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.454 ' OE2' ' OH ' ' A' ' 114' ' ' TYR . 99.5 mt-10 -110.25 139.14 45.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.31 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 139' ' ' VAL . 11.5 p -140.4 142.27 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.759 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.537 ' CD1' ' HE2' ' A' ' 105' ' ' LYS . 80.8 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.578 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.644 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 24.6 ptp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.527 ' N ' ' HG3' ' A' ' 1' ' ' MET . . . -62.73 -39.94 95.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.644 ' CD1' ' O ' ' A' ' 1' ' ' MET . 91.8 m-85 58.28 30.14 19.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.998 0.428 . . . . 0.0 110.081 -179.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 6' ' ' SER . . . 81.86 179.49 52.92 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 4' ' ' GLY . 63.6 mttp 64.3 -0.98 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.69 0.281 . . . . 0.0 110.606 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 4' ' ' GLY . 96.0 p -70.54 -22.31 62.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.258 0.552 . . . . 0.0 109.585 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.49 ' NH1' ' HE1' ' A' ' 8' ' ' TYR . 47.4 mtm105 -63.19 -41.48 99.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.981 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.49 ' HE1' ' NH1' ' A' ' 7' ' ' ARG . 98.5 m-85 -124.93 108.37 11.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.954 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -74.63 149.0 40.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.267 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -61.29 -42.13 98.13 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.724 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -131.35 139.42 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.664 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.09 -6.11 7.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.679 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -94.36 -2.09 52.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.677 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.7 ptt85 -63.72 -21.9 66.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.029 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.8 m -121.81 145.62 47.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 111.026 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.623 ' CE2' ' O ' ' A' ' 17' ' ' ASN . 92.1 t80 -139.21 132.23 29.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.313 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.623 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 53.4 p30 -80.77 178.62 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.699 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -81.33 -10.41 59.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m 56.83 54.84 6.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.782 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.499 ' ND2' ' HD1' ' A' ' 26' ' ' TYR . 98.9 m-20 -61.58 151.54 32.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.635 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -61.3 -39.87 92.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.391 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -119.58 135.56 54.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.065 0.459 . . . . 0.0 111.152 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 4.6 tmt_? -62.49 -41.95 99.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.657 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.516 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 62.7 ttm-85 -59.87 -43.5 94.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.617 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.98 -41.8 97.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.945 0.402 . . . . 0.0 110.008 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.499 ' HD1' ' ND2' ' A' ' 20' ' ' ASN . 90.3 t80 -59.89 -49.07 79.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.238 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.29 95.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.54 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 98.7 mm-40 -63.54 -39.87 95.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.685 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.58 ' OE1' ' NH2' ' A' ' 32' ' ' ARG . 54.2 tp10 -61.23 -44.02 97.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.275 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.1 ttt -61.9 -44.57 96.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.566 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 66.1 t0 -60.86 -48.73 80.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.079 0.466 . . . . 0.0 110.484 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.58 ' NH2' ' OE1' ' A' ' 29' ' ' GLU . 60.6 ttp180 -62.6 -45.21 93.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.87 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' HG ' ' HE1' ' A' ' 37' ' ' PHE . 60.4 tp -62.67 -45.29 93.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.633 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.5 pt-20 -65.02 -28.41 69.48 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.006 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 62.0 mtpt -63.22 -39.53 94.9 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.543 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.57 ' O ' ' CD2' ' A' ' 40' ' ' LEU . . . -61.13 -41.12 96.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.357 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.692 ' CZ ' ' CE2' ' A' ' 91' ' ' PHE . 84.7 m-85 -65.35 -38.84 91.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.597 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.23 -38.65 90.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -95.41 6.53 48.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.57 ' CD2' ' O ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -102.33 98.29 8.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.619 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.567 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 58.5 p30 -67.57 141.78 56.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.524 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.561 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 82.51 2.46 90.62 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.112 -0.566 . . . . 0.0 111.718 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.581 ' CZ2' ' HE3' ' A' ' 54' ' ' LYS . 94.3 m95 -117.83 135.12 54.29 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.526 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 74.4 m-85 -138.32 146.42 42.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.585 HD22 ' CD2' ' A' ' 37' ' ' PHE . 2.9 mp -126.3 148.14 49.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.515 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.9 p -119.08 135.65 54.54 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.4 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.5 m -67.55 -40.77 84.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.353 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.31 -40.63 96.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.533 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.607 ' O ' ' N ' ' A' ' 51' ' ' SER . 30.1 mmmt -121.51 49.57 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.072 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.3 m-20 -18.39 84.63 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.811 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.8 t -152.48 149.94 29.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.715 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.583 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . . . -108.82 138.03 45.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.474 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.9 p90 -151.55 160.58 43.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.687 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.663 ' NZ ' ' CE1' ' A' ' 56' ' ' PHE . 21.3 ttpp -132.91 131.93 41.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.988 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -100.42 105.59 17.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.333 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CE1' ' NZ ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -89.01 -12.25 41.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.999 0.428 . . . . 0.0 110.354 179.1 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.48 -10.1 75.52 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HE2' ' OD2' ' A' ' 112' ' ' ASP . 16.8 tptm -109.05 -40.23 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.02 0.438 . . . . 0.0 109.916 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.593 ' CE1' HG23 ' A' ' 61' ' ' ILE . 52.8 p90 -153.73 161.14 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.4 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.583 ' OE1' ' ND2' ' A' ' 77' ' ' ASN . 88.9 tt0 -107.43 129.97 54.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 111.16 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.593 HG23 ' CE1' ' A' ' 59' ' ' TYR . 49.4 pt -129.22 137.88 55.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.151 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.587 ' NH2' ' OG ' ' A' ' 51' ' ' SER . 17.8 ptm180 -140.02 157.53 45.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.017 0.437 . . . . 0.0 111.176 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.573 HD23 ' CE1' ' A' ' 91' ' ' PHE . 8.3 mp -112.56 152.79 28.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.277 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.463 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . 91.5 p -148.16 164.26 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.755 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -62.96 -163.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.497 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -59.1 -46.62 87.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.267 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.5 t -92.71 97.76 10.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.524 ' O ' ' HD2' ' A' ' 72' ' ' TYR . . . -92.41 -1.03 57.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.073 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.624 ' O ' ' CE2' ' A' ' 72' ' ' TYR . 67.8 t0 -60.23 -43.54 95.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.22 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -95.48 3.61 54.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.673 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.581 ' O ' ' NH2' ' A' ' 62' ' ' ARG . 75.5 mmtt -94.44 7.22 46.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.459 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.624 ' CE2' ' O ' ' A' ' 69' ' ' ASP . 18.1 p90 -140.15 163.35 32.95 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.638 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.557 ' CE1' ' HE2' ' A' ' 49' ' ' LYS . 80.0 m80 -124.0 150.15 45.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.008 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -82.23 73.26 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.754 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.548 ' CD2' ' OD1' ' A' ' 77' ' ' ASN . 0.6 OUTLIER -139.84 124.9 18.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.348 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 76' ' ' GLU . 51.2 mp0 -84.35 135.3 34.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.518 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.583 ' ND2' ' OE1' ' A' ' 60' ' ' GLU . 98.6 m-20 -100.17 6.78 44.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.478 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.452 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . 80.74 1.09 89.09 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.452 ' HD2' ' O ' ' A' ' 78' ' ' GLY . 31.1 mmm180 -133.54 156.35 47.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.322 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.6 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 2.5 mm? -56.57 137.98 52.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.548 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.5 mt -118.64 125.88 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.91 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.524 ' CG1' HG21 ' A' ' 117' ' ' ILE . 84.5 t -121.42 124.61 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.058 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.504 HD21 ' CG ' ' A' ' 62' ' ' ARG . 32.5 m120 -108.6 136.58 47.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.529 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 86.6 mt -118.34 126.92 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.486 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.45 ' HG2' ' HB1' ' A' ' 68' ' ' ALA . 56.9 mtmt -101.54 123.67 45.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.608 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.535 ' CB ' HG12 ' A' ' 94' ' ' ILE . . . -160.16 151.05 18.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.505 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.4 p -71.73 160.42 32.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.264 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.35 -40.68 97.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.307 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.55 ' CD2' ' NH2' ' A' ' 32' ' ' ARG . 88.2 mt -64.21 -39.37 93.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.324 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.53 13.42 34.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.756 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CE2' ' CZ ' ' A' ' 37' ' ' PHE . 83.9 t80 -58.77 -49.1 78.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.769 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.53 ' O ' HG12 ' A' ' 95' ' ' ILE . 71.9 t -62.7 -45.61 98.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.264 0.554 . . . . 0.0 110.618 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.38 -39.77 95.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.125 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.557 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 6.1 tp -64.05 -36.34 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.4 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.572 ' O ' ' HB2' ' A' ' 99' ' ' LEU . 40.4 pt -78.55 -26.99 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.789 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -62.12 -47.04 86.37 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.631 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 63.4 t30 -88.44 -38.75 14.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 94' ' ' ILE . 17.8 tppt? -64.27 -43.01 96.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.335 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.573 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 89.4 mt -62.48 -40.36 96.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.557 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.09 -38.91 93.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.573 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.2 mmtp -64.15 -39.91 95.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.594 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.573 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 43.7 pt -74.53 -39.92 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.705 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.538 ' N ' HG13 ' A' ' 102' ' ' ILE . 91.9 mt -62.76 -46.12 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.045 0.45 . . . . 0.0 110.161 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.567 ' HG3' ' NZ ' ' A' ' 108' ' ' LYS . 54.4 tp10 -63.07 -42.5 99.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.722 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.569 ' NZ ' ' CD ' ' A' ' 138' ' ' GLU . 25.2 ttmm -60.63 -43.0 98.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.524 HG13 ' CD1' ' A' ' 111' ' ' LEU . 76.8 mt -60.79 -42.75 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.826 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -58.8 -48.84 79.86 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.128 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.567 ' NZ ' ' HG3' ' A' ' 104' ' ' GLU . 37.7 mtmm -73.89 -37.16 64.78 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.568 ' O ' ' O ' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -155.37 126.96 7.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.172 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.03 144.94 56.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.524 ' CD1' HG13 ' A' ' 106' ' ' ILE . 7.9 mp -65.2 -11.91 45.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.073 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.501 ' OD2' ' HE2' ' A' ' 58' ' ' LYS . 98.4 m-20 -61.84 -27.53 68.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.566 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 98.0 mttt -64.02 -39.35 93.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.133 0.492 . . . . 0.0 109.924 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.6 ' O ' ' CG ' ' A' ' 80' ' ' LEU . 87.4 m-85 -80.98 153.73 27.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.35 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.566 ' NH1' ' O ' ' A' ' 113' ' ' LYS . 10.7 mpt_? -107.96 -28.3 9.67 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.653 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.47 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 90.8 t80 -143.08 125.74 15.92 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.052 0.454 . . . . 0.0 111.228 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.586 HG13 ' SG ' ' A' ' 128' ' ' CYS . 1.3 mp -130.89 138.35 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.939 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -135.14 111.49 9.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.979 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.458 ' HA ' HG13 ' A' ' 126' ' ' ILE . . . -83.48 148.84 27.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.477 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.557 ' CG2' ' HB2' ' A' ' 124' ' ' HIS . 26.4 m -129.49 156.44 44.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.066 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.538 ' N ' HG21 ' A' ' 120' ' ' THR . 63.7 t30 -37.4 148.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.087 0.47 . . . . 0.0 111.283 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.53 HD13 ' N ' ' A' ' 123' ' ' GLU . 3.4 pp -46.77 -31.85 3.27 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.229 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.53 ' N ' HD13 ' A' ' 122' ' ' LEU . 98.9 mt-10 -65.72 -33.63 76.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.557 ' HB2' ' CG2' ' A' ' 120' ' ' THR . 78.8 m80 -96.46 165.09 12.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.292 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -97.76 170.25 9.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.478 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.553 ' O ' ' CG2' ' A' ' 139' ' ' VAL . 20.2 tt -108.81 139.98 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.214 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.557 ' HD3' ' NZ ' ' A' ' 137' ' ' LYS . 98.4 mttt -119.8 138.33 53.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.754 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.586 ' SG ' HG13 ' A' ' 117' ' ' ILE . 82.4 m -125.47 145.31 50.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.751 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.48 ' C ' ' HD2' ' A' ' 114' ' ' TYR . 98.6 m-85 -117.81 134.58 54.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.165 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.525 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 83.7 m-85 -63.64 -41.94 98.2 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.992 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.536 ' HE3' ' NZ ' ' A' ' 134' ' ' LYS . 99.6 mttt -117.24 8.84 13.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.017 0.436 . . . . 0.0 110.345 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.47 ' HA2' ' HB3' ' A' ' 116' ' ' PHE . . . 91.79 -13.34 67.04 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.518 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 83.5 t80 -162.35 116.09 1.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.536 ' NZ ' ' HE3' ' A' ' 131' ' ' LYS . 39.6 ttmt 174.65 161.21 0.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.831 0.348 . . . . 0.0 110.613 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.496 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 11.8 t -68.23 -13.58 62.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.171 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.495 ' O ' ' HD1' ' A' ' 130' ' ' TYR . 99.7 mttt -96.83 118.39 33.16 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.422 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.557 ' NZ ' ' HD3' ' A' ' 127' ' ' LYS . 20.8 ptmt -151.25 158.4 43.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.541 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.569 ' CD ' ' NZ ' ' A' ' 105' ' ' LYS . 88.8 tt0 -119.86 129.86 54.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.459 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.553 ' CG2' ' O ' ' A' ' 126' ' ' ILE . 10.3 p -135.83 141.47 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.69 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.422 ' N ' HG23 ' A' ' 139' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.574 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 tpp . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.62 152.86 36.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -120.08 127.4 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.13 2.8 90.66 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 7' ' ' ARG . 75.5 mmtt 55.56 43.36 28.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.321 . . . . 0.0 110.492 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.624 ' OG ' ' N ' ' A' ' 10' ' ' SER . 95.2 p -58.17 83.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.439 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 5' ' ' LYS . 2.9 mpp_? 49.65 -82.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.605 ' N ' ' O ' ' A' ' 6' ' ' SER . 92.8 t80 -108.13 -70.13 0.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.393 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.589 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 66.9 t30 -156.26 109.52 2.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.932 0.396 . . . . 0.0 111.088 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.624 ' N ' ' OG ' ' A' ' 6' ' ' SER . 48.3 t -62.55 -41.52 98.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.242 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -72.96 -6.26 44.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.335 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.589 ' CG ' ' O ' ' A' ' 9' ' ' ASN . 7.9 ppt_? -49.36 149.21 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.266 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -152.02 161.15 43.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.779 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.3 mmt85 -132.38 149.63 52.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.1 m -126.16 148.73 49.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.579 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -129.23 148.38 51.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.549 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 23.5 m120 53.52 -127.62 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.768 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.585 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER 85.92 -7.73 0.79 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.678 -179.867 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.5 m -89.44 -1.44 58.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.575 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 16.1 m120 61.36 -136.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.617 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -173.99 -77.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.293 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.427 ' HB2' ' HB2' ' A' ' 25' ' ' GLU . 98.5 mt-30 -129.21 142.65 50.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.209 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -60.82 -45.91 92.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.702 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HA ' ' HB1' ' A' ' 27' ' ' ALA . 9.1 ptm180 -68.62 -30.37 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.944 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 54.2 tp10 -61.63 -46.28 90.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 110.738 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 20' ' ' ASN . 17.1 m-30 -80.39 -28.42 37.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.636 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.434 ' HB1' ' HA ' ' A' ' 24' ' ' ARG . . . -61.31 -42.52 98.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.72 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.527 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 20.9 pt20 -70.8 -30.48 66.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.965 0.412 . . . . 0.0 110.239 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.524 ' O ' HD11 ' A' ' 33' ' ' LEU . 78.7 mm-40 -63.43 -38.58 91.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.58 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 98.4 mtp -61.23 -39.12 89.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 98.4 m-20 -60.3 -40.91 92.2 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.494 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.527 ' HD3' ' O ' ' A' ' 28' ' ' GLN . 12.5 mpt_? -64.5 -41.65 96.32 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.615 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.578 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 11.0 mp -64.35 -45.54 87.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.7 pt-20 -65.87 -29.21 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.591 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.51 -46.3 90.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.398 . . . . 0.0 110.053 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -62.88 -40.21 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.701 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.649 ' CG ' ' CD1' ' A' ' 45' ' ' LEU . 65.1 m-85 -64.33 -36.67 84.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.575 ' OE1' ' ND2' ' A' ' 39' ' ' ASN . 16.7 tm-20 -60.06 -39.89 87.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.575 ' ND2' ' OE1' ' A' ' 38' ' ' GLU . 34.2 m120 -96.94 6.64 48.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.454 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -104.16 94.55 5.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 98.8 m-20 -64.4 140.51 58.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.032 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 81.1 9.21 86.45 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.667 ' CZ3' ' NZ ' ' A' ' 54' ' ' LYS . 76.0 m95 -117.65 133.91 55.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.667 0.27 . . . . 0.0 110.275 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 78.9 m-85 -140.0 148.69 42.23 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.356 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.649 ' CD1' ' CG ' ' A' ' 37' ' ' PHE . 2.7 mp -123.44 143.37 50.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.258 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.9 p -120.48 137.83 54.14 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.713 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.6 p -70.28 -35.61 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.078 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.53 -46.28 90.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.292 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.634 ' O ' ' C ' ' A' ' 50' ' ' ASP . 58.1 mtmt -117.8 38.56 3.6 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.901 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.0 m-20 0.8 69.51 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.504 0.503 . . . . 0.0 111.049 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.602 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.6 t -150.02 152.18 34.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.585 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . . . -108.39 144.18 36.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.443 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.4 p90 -147.5 161.45 41.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.344 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.667 ' NZ ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -143.61 149.26 37.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -114.34 125.51 53.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.778 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 54' ' ' LYS . 96.4 m-85 -104.71 -5.48 21.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 110.153 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.08 -9.38 74.99 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.526 ' NZ ' ' H ' ' A' ' 112' ' ' ASP . 66.0 tttm -113.35 -41.82 3.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 110.537 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CD1' HG21 ' A' ' 61' ' ' ILE . 54.8 p90 -150.59 160.52 43.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.643 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.584 ' OE1' ' CD2' ' A' ' 75' ' ' LEU . 88.7 tt0 -109.93 130.34 55.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 111.226 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.599 HG21 ' CD1' ' A' ' 59' ' ' TYR . 48.5 pt -127.64 138.89 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.242 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 62' ' ' ARG . 10.5 ptm85 -132.55 156.21 47.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.03 0.443 . . . . 0.0 110.883 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.582 HD22 ' CE1' ' A' ' 91' ' ' PHE . 7.4 mp -116.67 149.38 39.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.559 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.0 p -149.39 163.06 38.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.573 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -72.42 -162.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.517 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -58.72 -47.01 86.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.06 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 t -93.24 109.06 20.59 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' CB ' ' HE2' ' A' ' 85' ' ' LYS . . . -100.81 7.85 43.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.997 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -59.44 -45.45 91.54 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.446 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -85.63 -18.32 33.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.336 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -93.21 -5.33 50.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.64 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 68' ' ' ALA . 55.0 t80 -92.13 123.54 35.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -141.95 138.99 32.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -83.41 106.77 15.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.869 0.366 . . . . 0.0 110.494 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.584 ' CD2' ' OE1' ' A' ' 60' ' ' GLU . 9.7 mp -74.47 146.9 42.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.711 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -86.89 -1.6 57.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.721 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.67 -34.14 76.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.602 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.98 0.84 89.37 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.589 ' NH2' ' OD2' ' A' ' 112' ' ' ASP . 29.6 mmm180 -83.03 157.88 22.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.327 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' CD2' ' O ' ' A' ' 114' ' ' TYR . 2.2 tm? -58.84 129.16 40.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.978 0.418 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 87.2 mt -116.8 127.71 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.541 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.533 ' CG1' HG22 ' A' ' 117' ' ' ILE . 85.7 t -112.31 120.23 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.404 HD22 ' CB ' ' A' ' 68' ' ' ALA . 50.6 t30 -96.71 108.66 21.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.289 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.548 ' HA ' ' CB ' ' A' ' 119' ' ' ALA . 83.3 mt -99.54 122.97 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.999 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.529 ' HE2' ' CB ' ' A' ' 68' ' ' ALA . 99.6 mttt -104.39 120.33 40.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.395 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.42 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -159.47 153.4 23.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.507 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.0 m -69.79 147.92 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.25 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.517 ' CD ' ' HB3' ' A' ' 29' ' ' GLU . 18.9 ptpt -60.72 -28.14 68.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.532 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.56 -42.86 98.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.436 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -105.13 20.81 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.735 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.582 ' CE1' HD22 ' A' ' 63' ' ' LEU . 90.7 t80 -58.19 -48.35 80.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.765 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.452 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 67.3 t -61.42 -45.38 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.191 0.519 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.31 -39.6 91.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.012 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.561 HG23 ' N ' ' A' ' 95' ' ' ILE . 4.9 tp -61.6 -28.4 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.818 0.342 . . . . 0.0 110.173 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.577 HD12 ' CH2' ' A' ' 43' ' ' TRP . 33.7 mm -60.66 -47.17 94.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.684 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 100' ' ' ASP . 97.0 mt-10 -65.7 -43.86 87.88 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.96 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.612 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 99.0 m-20 -70.54 -39.5 73.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' A' ' 98' ' ' LYS . 5.9 tmtt? -82.43 -49.75 9.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 0.0 111.496 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.569 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 0.4 OUTLIER -59.4 -40.01 85.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.39 -178.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.568 ' CG ' ' O ' ' A' ' 96' ' ' GLU . 99.2 m-20 -62.2 -38.64 89.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.802 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.1 mmtt -64.33 -39.67 94.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.569 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 42.1 pt -73.6 -34.68 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.534 HG12 ' CD1' ' A' ' 99' ' ' LEU . 28.8 mm -62.31 -44.66 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 110.212 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.485 ' O ' ' HE2' ' A' ' 108' ' ' LYS . 88.9 tt0 -63.12 -41.89 99.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.861 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 73.9 mmtt -62.37 -40.18 95.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.266 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.578 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 76.0 mt -61.7 -46.31 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.353 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.85 -43.98 97.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.951 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.485 ' HE2' ' O ' ' A' ' 104' ' ' GLU . 1.2 mppt? -83.26 -30.49 27.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.106 0.479 . . . . 0.0 110.373 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 1.1 pt? -150.11 177.25 10.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.764 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.489 ' HB2' ' HG2' ' A' ' 113' ' ' LYS . 98.4 m-20 -102.33 132.03 48.56 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.159 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.59 HD13 ' CE2' ' A' ' 59' ' ' TYR . 89.1 mt -63.82 -35.42 80.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.311 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.589 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 98.7 m-20 -59.97 -18.37 45.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.61 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' A' ' 110' ' ' ASP . 73.2 mmtt -63.96 -39.2 93.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.123 0.487 . . . . 0.0 109.973 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.583 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 56.9 m-85 -79.45 147.05 32.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.162 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.582 ' C ' ' CD2' ' A' ' 80' ' ' LEU . 41.5 mmt180 -104.04 -21.8 13.54 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.56 ' HD2' ' CD1' ' A' ' 129' ' ' TYR . 87.8 t80 -145.99 125.31 13.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.108 0.48 . . . . 0.0 111.411 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.653 ' CG1' ' SG ' ' A' ' 128' ' ' CYS . 1.3 mp -133.36 139.78 48.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.707 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.508 ' O ' ' HB ' ' A' ' 126' ' ' ILE . 66.7 t30 -133.45 113.03 12.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.888 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.548 ' CB ' ' HA ' ' A' ' 84' ' ' ILE . . . -82.26 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.171 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.454 ' HB ' ' HB2' ' A' ' 124' ' ' HIS . 62.6 p -126.57 161.39 28.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.513 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.581 ' O ' ' O ' ' A' ' 124' ' ' HIS . 99.2 m-20 -47.82 173.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.42 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.453 ' CD2' HD21 ' A' ' 97' ' ' ASN . 89.5 mt -60.5 -39.15 86.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.418 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.0 -35.0 79.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.405 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.581 ' O ' ' O ' ' A' ' 121' ' ' ASN . 79.9 m80 -100.83 151.11 22.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.442 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.3 m-20 -99.51 168.87 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.585 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.579 ' CD1' ' C ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -108.67 168.36 3.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.24 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.541 ' NZ ' ' OH ' ' A' ' 129' ' ' TYR . 0.3 OUTLIER -144.0 154.53 43.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.135 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.653 ' SG ' ' CG1' ' A' ' 117' ' ' ILE . 83.6 m -121.55 147.59 45.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.714 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.56 ' CD1' ' HD2' ' A' ' 116' ' ' PHE . 97.3 m-85 -116.03 134.74 54.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.005 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.598 ' CD2' ' HD3' ' A' ' 131' ' ' LYS . 74.3 t80 -60.27 -48.18 82.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.578 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.598 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 0.1 OUTLIER -117.32 10.76 13.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.408 . . . . 0.0 110.42 179.37 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.532 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 91.16 -12.42 69.23 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.515 ' O ' ' HG2' ' A' ' 134' ' ' LYS . 87.2 t80 -161.75 116.44 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 133' ' ' PHE . 14.5 mmtt 171.44 164.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.887 0.375 . . . . 0.0 110.777 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.4 t -68.98 -21.06 64.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.531 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -91.05 118.46 30.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -150.99 159.18 44.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.421 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.495 ' HG3' ' OH ' ' A' ' 114' ' ' TYR . 79.7 mm-40 -113.13 145.34 41.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.384 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.415 ' O ' HG12 ' A' ' 139' ' ' VAL . 11.4 p -136.74 140.91 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.674 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.527 ' CG2' ' HD2' ' A' ' 101' ' ' LYS . 84.8 mt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.072 -0.965 . . . . 0.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.456 ' HG3' ' HE3' ' A' ' 5' ' ' LYS . 61.6 mtt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.01 92.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.523 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.19 4.6 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.21 2.58 90.62 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HA ' ' OD1' ' A' ' 9' ' ' ASN . 98.5 mttt 55.22 41.95 30.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 7' ' ' ARG . 68.1 m -66.36 146.05 55.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.474 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.536 ' C ' ' O ' ' A' ' 6' ' ' SER . 12.0 mpt_? 27.98 -106.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.394 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' A' ' 9' ' ' ASN . 96.8 m-85 -110.43 7.77 22.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.793 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' ' 8' ' ' TYR . 99.0 m-20 67.34 -75.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.345 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.7 t -61.39 141.35 57.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.308 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 13' ' ' LYS . 93.4 t80 -59.12 131.09 49.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.616 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.538 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 8.1 tpm_? -87.9 128.08 35.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.613 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 19.6 ptpt -151.36 160.34 43.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -70.57 144.98 51.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.476 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.4 t -104.26 123.46 47.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.616 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -127.69 -7.78 5.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -90.96 106.93 18.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -103.42 123.1 46.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.601 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.5 m -71.42 143.92 49.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.412 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -150.13 54.41 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.633 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.518 ' HE3' ' CG ' ' A' ' 26' ' ' TYR . 62.7 pttt -158.08 166.06 33.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.684 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -61.01 135.57 57.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.426 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -68.02 -30.93 70.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.168 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.51 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 61.1 ttp180 -60.78 -48.82 80.07 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.607 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 79.2 mm-40 -66.61 -40.42 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.044 0.45 . . . . 0.0 110.399 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CG ' ' HE3' ' A' ' 21' ' ' LYS . 5.6 t80 -61.67 -47.5 85.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.579 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.553 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -62.25 -40.31 95.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.583 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 98.5 mm-40 -63.02 -39.44 94.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.602 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.579 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 78.7 mm-40 -63.37 -39.43 94.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.15 -47.95 83.76 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.869 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.583 ' OD1' ' O ' ' A' ' 28' ' ' GLN . 6.9 p-10 -70.05 -34.64 73.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.491 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.481 HH21 ' CB ' ' A' ' 35' ' ' LYS . 8.9 tpm_? -61.3 -46.06 91.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.739 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.645 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 9.0 mp -63.98 -44.26 93.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.736 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.3 pt-20 -64.01 -34.94 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.037 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 98.1 mttt -64.31 -40.49 96.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.993 0.425 . . . . 0.0 110.349 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.579 ' O ' ' CD2' ' A' ' 40' ' ' LEU . . . -62.68 -40.62 97.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.692 ' CZ ' ' CZ ' ' A' ' 91' ' ' PHE . 72.1 m-85 -64.85 -38.34 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.535 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.22 -41.3 96.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.369 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -92.98 10.07 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.449 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.579 ' CD2' ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -102.7 95.31 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.526 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.08 140.74 58.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.715 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.552 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.97 2.46 90.57 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.586 ' CZ2' ' HE3' ' A' ' 54' ' ' LYS . 93.7 m95 -118.91 139.58 51.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.926 0.393 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.514 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 81.6 m-85 -137.41 149.53 46.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.948 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 37' ' ' PHE . 90.2 mt -112.3 141.52 45.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.433 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.3 t -114.98 128.61 56.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.395 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.6 m -65.1 -40.86 95.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.205 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.18 -46.18 89.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.941 0.4 . . . . 0.0 109.995 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.63 ' O ' ' N ' ' A' ' 51' ' ' SER . 38.4 ttpt -121.89 61.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.636 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.553 ' C ' ' O ' ' A' ' 49' ' ' LYS . 99.2 m-20 -24.4 85.8 0.0 OUTLIER 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.82 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.1 p -159.07 163.7 36.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.471 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.662 ' CB ' ' CE2' ' A' ' 37' ' ' PHE . . . -117.27 145.23 44.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.514 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 61' ' ' ILE . 52.2 p90 -149.03 160.21 43.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.876 0.369 . . . . 0.0 110.719 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.586 ' HE3' ' CZ2' ' A' ' 43' ' ' TRP . 41.5 ttmt -116.07 129.83 56.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.173 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -90.98 99.63 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.629 ' CD2' ' OH ' ' A' ' 59' ' ' TYR . 0.6 OUTLIER -84.64 -20.03 31.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.295 179.216 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.72 -11.18 72.84 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' O ' ' NE ' ' A' ' 79' ' ' ARG . 57.2 mtmt -115.24 -30.43 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.116 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.629 ' OH ' ' CD2' ' A' ' 56' ' ' PHE . 55.3 p90 -156.3 161.67 40.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.11 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.531 ' OE1' ' ND2' ' A' ' 77' ' ' ASN . 88.9 tt0 -114.87 128.69 56.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 111.109 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 59' ' ' TYR . 47.3 pt -127.42 137.76 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.158 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 10.8 ptp85 -139.81 158.28 44.35 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.164 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' HG ' ' HB ' ' A' ' 84' ' ' ILE . 10.2 mp -110.93 149.5 30.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.103 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.559 ' OG ' ' CB ' ' A' ' 68' ' ' ALA . 91.4 p -147.33 163.06 37.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.783 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.569 ' ND2' ' ND1' ' A' ' 66' ' ' HIS . 51.3 t30 -56.77 -163.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.557 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.569 ' ND1' ' ND2' ' A' ' 65' ' ' ASN . 53.8 p-80 -62.69 -19.82 64.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.265 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.9 p -123.11 93.51 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.559 ' CB ' ' OG ' ' A' ' 64' ' ' SER . . . -83.83 -20.55 32.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.689 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.485 ' O ' ' HD2' ' A' ' 72' ' ' TYR . 57.1 p30 -80.9 -7.82 59.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -61.03 -40.83 95.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.777 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -124.99 44.42 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.957 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.485 ' HD2' ' O ' ' A' ' 69' ' ' ASP . 36.9 p90 -65.73 143.29 57.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.491 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.526 ' O ' HD12 ' A' ' 75' ' ' LEU . 66.5 m170 -130.73 154.7 47.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.56 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.45 ' C ' HD12 ' A' ' 75' ' ' LEU . 98.7 m-20 -63.02 147.37 50.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.379 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.595 ' N ' ' CD1' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -97.21 99.77 11.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.872 0.368 . . . . 0.0 110.756 -179.738 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -94.9 -8.12 38.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.451 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.531 ' ND2' ' OE1' ' A' ' 60' ' ' GLU . 99.3 m-20 -65.84 -32.18 73.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.054 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . 75.63 21.06 77.72 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.426 ' NE ' ' O ' ' A' ' 58' ' ' LYS . 30.4 mmm180 -126.25 156.54 40.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.464 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.606 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 3.0 tt -56.97 128.37 36.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.628 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.562 ' N ' HD21 ' A' ' 80' ' ' LEU . 87.9 mt -119.18 124.83 73.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.28 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.526 ' CG1' HG21 ' A' ' 117' ' ' ILE . 97.2 t -118.18 124.5 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.381 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.497 ' OD1' ' HG2' ' A' ' 62' ' ' ARG . 98.2 m-20 -110.91 135.18 51.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.237 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.545 ' CG1' ' HE2' ' A' ' 98' ' ' LYS . 2.5 mp -119.82 126.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.803 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.551 ' O ' ' OD1' ' A' ' 121' ' ' ASN . 37.7 mtmm -99.69 128.18 45.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.418 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.52 ' HA ' ' OD1' ' A' ' 121' ' ' ASN . . . -159.28 154.55 25.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.693 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.5 t -63.71 141.93 58.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.283 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HD3' ' HB3' ' A' ' 29' ' ' GLU . 9.7 ptpp? -58.87 -29.41 66.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.539 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.509 HD21 ' OE1' ' A' ' 29' ' ' GLU . 87.1 mt -64.43 -39.37 93.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.0 0.428 . . . . 0.0 110.187 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -105.29 20.22 19.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.624 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CZ ' ' CZ ' ' A' ' 37' ' ' PHE . 86.7 t80 -58.24 -49.2 77.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.881 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.551 ' O ' HG21 ' A' ' 95' ' ' ILE . 59.0 t -62.79 -44.01 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.134 0.492 . . . . 0.0 110.496 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.13 -40.35 93.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.327 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.53 HG21 ' O ' ' A' ' 91' ' ' PHE . 3.9 tp -58.81 -33.37 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.018 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.563 HG21 ' N ' ' A' ' 96' ' ' GLU . 15.6 tt -62.71 -36.92 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.535 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.563 ' N ' HG21 ' A' ' 95' ' ' ILE . 15.5 tm-20 -63.72 -47.84 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 50.8 t30 -71.77 -45.64 61.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.619 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.59 ' NZ ' ' CD1' ' A' ' 126' ' ' ILE . 58.1 tptt -64.55 -42.9 95.41 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.393 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 95' ' ' ILE . 3.5 mm? -57.57 -42.06 82.32 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.336 -0.545 . . . . 0.0 109.626 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.74 -39.37 93.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.256 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.9 mmtt -63.15 -39.0 93.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.032 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.562 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.28 -41.61 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.867 -179.122 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.527 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.0 mm -61.72 -46.53 96.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.173 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.51 -43.44 90.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.042 0.449 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.592 ' NZ ' ' OE2' ' A' ' 138' ' ' GLU . 74.5 mmtt -64.25 -40.49 96.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.32 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.554 HG21 ' N ' ' A' ' 107' ' ' ASP . 20.2 tt -66.46 -32.16 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.71 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.554 ' N ' HG21 ' A' ' 106' ' ' ILE . 98.5 m-20 -62.59 -40.39 96.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.028 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -74.35 -39.5 62.74 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.176 0.513 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.645 ' CD1' ' CE1' ' A' ' 114' ' ' TYR . 1.2 pp -157.68 154.2 27.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.846 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.16 145.84 55.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.54 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.606 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 7.4 mp -62.91 -39.71 95.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.739 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.56 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 61.8 t0 -51.34 -14.67 0.3 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.569 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.461 ' HG3' HD11 ' A' ' 109' ' ' LEU . 33.5 mmtp -65.42 -37.18 86.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.3 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.712 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 70.6 m-85 -96.93 129.47 44.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.852 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.53 ' HD3' ' O ' ' A' ' 131' ' ' LYS . 78.3 ttt-85 -64.73 -43.63 92.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.984 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 118' ' ' ASN . 93.8 t80 -150.31 134.29 16.9 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.161 0.505 . . . . 0.0 111.994 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.668 ' CD1' ' SG ' ' A' ' 128' ' ' CYS . 1.3 mp -126.89 138.31 55.22 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.333 178.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.584 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 66.4 t30 -131.18 112.03 12.46 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.699 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.471 ' HA ' HG13 ' A' ' 126' ' ' ILE . . . -82.01 153.3 26.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.148 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.584 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 68.0 p -127.92 162.05 27.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.232 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.551 ' OD1' ' O ' ' A' ' 85' ' ' LYS . 87.4 m-20 -52.73 149.92 5.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.169 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.0 pp -46.17 -30.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.34 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.45 -35.06 79.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 121' ' ' ASN . 99.1 m-70 -102.21 164.94 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.567 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.584 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.2 m-20 -97.74 165.99 11.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.59 ' CD1' ' NZ ' ' A' ' 98' ' ' LYS . 18.7 tt -108.34 141.35 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.543 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -119.0 152.06 37.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.6 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.712 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 53.6 t -134.85 128.9 33.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -112.16 136.28 51.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.318 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -60.05 -49.52 77.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.761 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.581 ' HE2' ' CZ ' ' A' ' 133' ' ' PHE . 17.1 ptmt -118.04 19.14 13.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.002 0.43 . . . . 0.0 110.432 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.35 -18.88 55.39 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.581 ' CZ ' ' HE2' ' A' ' 131' ' ' LYS . 52.0 p90 -163.26 128.9 3.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 133' ' ' PHE . 6.1 mmmt 170.57 165.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.566 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.3 p -68.69 -23.04 64.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.843 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -93.8 119.29 32.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.449 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -150.7 158.46 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.592 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.592 ' OE2' ' NZ ' ' A' ' 105' ' ' LYS . 88.8 tt0 -112.91 129.44 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.191 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.2 140.85 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 110.764 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.479 ' CD1' ' HD2' ' A' ' 101' ' ' LYS . 82.9 mt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.509 ' H1 ' ' NH1' ' A' ' 12' ' ' ARG . 63.5 tpp . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 3' ' ' TYR . . . 56.36 47.48 18.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.631 ' CD2' ' N ' ' A' ' 4' ' ' GLY . 89.6 t80 71.32 -99.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.46 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.631 ' N ' ' CD2' ' A' ' 3' ' ' TYR . . . 57.57 -131.59 52.13 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -140.16 50.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.759 0.314 . . . . 0.0 110.74 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.57 ' O ' ' C ' ' A' ' 7' ' ' ARG . 40.3 t -62.87 140.99 58.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.38 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.57 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.0 OUTLIER 26.82 -95.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.16 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 6' ' ' SER . 95.3 m-85 -110.27 -24.63 10.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.975 0.417 . . . . 0.0 110.207 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 61.0 t30 53.51 38.88 29.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.642 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.8 p -100.58 -19.02 16.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.755 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.506 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 94.0 t80 -147.22 130.75 16.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.681 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.509 ' NH1' ' H1 ' ' A' ' 1' ' ' MET . 43.6 ttm180 173.03 -93.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.656 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -132.4 131.45 41.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.489 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.509 HH21 ' NH1' ' A' ' 18' ' ' ARG . 36.5 ptt-85 -62.5 144.46 55.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.731 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.6 p -101.59 4.44 40.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.782 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -69.89 142.74 52.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.847 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.411 ' HB3' HD22 ' A' ' 20' ' ' ASN . 98.3 m-20 -101.55 148.9 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.509 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.524 ' HD3' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -149.87 161.89 41.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.699 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m 56.45 41.08 29.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.73 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.551 ' O ' ' O ' ' A' ' 21' ' ' LYS . 33.2 m120 -77.57 135.98 38.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.538 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' O ' ' O ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER 34.32 -159.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.624 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.559 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 98.3 mm-40 53.43 41.06 32.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.45 -39.22 92.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.54 -42.31 96.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.652 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -61.88 -39.95 93.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 22' ' ' GLN . 74.0 m-85 -65.28 -39.38 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.467 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.99 96.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -62.97 -40.94 99.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.385 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 98.7 mt-10 -63.2 -39.28 94.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.495 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.49 ' SD ' ' C ' ' A' ' 30' ' ' MET . 19.4 tmm? -60.66 -44.55 96.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.548 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.25 -47.15 87.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 110.124 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -61.78 -44.1 97.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.547 ' CD2' ' CE1' ' A' ' 37' ' ' PHE . 7.8 tt -61.4 -44.53 96.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.468 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.95 -40.96 97.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.564 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.09 -43.74 95.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.702 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -60.84 -39.96 91.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.412 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.64 ' CZ ' ' CB ' ' A' ' 52' ' ' ALA . 43.3 m-85 -67.57 -33.45 75.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.991 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.89 -40.77 89.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.318 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -97.78 7.56 46.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -101.13 98.33 8.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.849 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.8 t0 -66.93 134.71 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.769 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 92.19 -1.06 72.91 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.667 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.604 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 95.0 m95 -118.36 138.0 52.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.999 0.428 . . . . 0.0 110.942 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -137.68 148.56 45.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.577 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.583 HD13 ' CD1' ' A' ' 37' ' ' PHE . 93.5 mt -118.17 137.95 52.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.501 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 70.8 m -119.15 129.7 55.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.098 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.514 ' HA ' ' OD1' ' A' ' 50' ' ' ASP . 92.7 p -67.04 -37.67 84.52 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.083 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.96 -45.27 95.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.622 ' O ' ' C ' ' A' ' 50' ' ' ASP . 24.5 mmmt -118.57 39.57 3.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.369 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.4 m-20 -8.74 77.97 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.617 0.573 . . . . 0.0 110.798 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.8 t -152.74 149.33 28.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.067 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.64 ' CB ' ' CZ ' ' A' ' 37' ' ' PHE . . . -111.35 141.87 44.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.351 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.509 ' HB2' ' OE2' ' A' ' 60' ' ' GLU . 53.3 p90 -150.31 160.05 44.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.964 0.412 . . . . 0.0 111.179 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.604 ' HE3' ' CE2' ' A' ' 43' ' ' TRP . 41.8 ttmt -119.32 129.98 55.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.957 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -94.79 126.69 40.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.951 0.405 . . . . 0.0 111.269 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.776 ' CD1' ' CZ ' ' A' ' 59' ' ' TYR . 98.1 m-85 -108.92 -14.74 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.879 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.46 -10.87 73.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -115.46 -31.98 5.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.87 0.367 . . . . 0.0 110.357 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.776 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 51.3 p90 -152.57 162.64 40.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.509 ' OE2' ' HB2' ' A' ' 53' ' ' TYR . 16.6 tm-20 -118.41 130.46 55.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.91 0.386 . . . . 0.0 111.051 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.588 HG23 ' CD1' ' A' ' 59' ' ' TYR . 44.8 pt -126.74 137.11 58.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.228 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 53' ' ' TYR . 41.2 ptt180 -140.4 157.68 45.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.434 . . . . 0.0 111.077 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.582 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 3.1 mp -115.24 149.42 37.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.167 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.6 p -148.42 164.75 33.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.941 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.587 ' OD1' ' NZ ' ' A' ' 88' ' ' LYS . 61.1 t30 -56.82 177.62 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.323 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 87' ' ' SER . 96.1 m-70 -62.0 -38.89 90.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.165 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.48 ' OG ' ' NH1' ' A' ' 18' ' ' ARG . 40.7 t -59.8 139.13 57.54 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.66 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.534 ' CB ' ' HE3' ' A' ' 71' ' ' LYS . . . -93.66 23.28 4.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.466 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -59.17 -43.48 92.13 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.006 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -94.53 1.91 55.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.091 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HE3' ' CB ' ' A' ' 68' ' ' ALA . 40.9 ttmt -61.96 -40.53 95.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.78 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -65.7 144.84 56.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.642 ' CE1' ' C ' ' A' ' 75' ' ' LEU . 64.7 t-80 -91.31 109.82 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.835 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -99.17 -30.64 12.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.244 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.642 ' C ' ' CE1' ' A' ' 73' ' ' HIS . 7.2 tt -137.35 136.63 38.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.0 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 25.6 pm0 -107.84 142.9 37.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.95 0.405 . . . . 0.0 110.734 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -100.41 10.79 40.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.406 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.61 4.56 89.01 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -126.27 157.18 38.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 0.2 OUTLIER -55.73 140.62 41.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.53 HD13 ' NE2' ' A' ' 73' ' ' HIS . 1.5 mp -107.48 128.42 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.082 0.468 . . . . 0.0 110.991 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.56 HG21 ' CG1' ' A' ' 117' ' ' ILE . 48.0 t -124.46 124.82 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.551 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.528 ' HB2' ' OD1' ' A' ' 118' ' ' ASN . 85.3 m-20 -107.93 126.33 52.56 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.748 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.456 ' HB ' ' HG ' ' A' ' 63' ' ' LEU . 85.5 mt -117.62 127.69 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.468 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.531 ' HD2' ' O ' ' A' ' 65' ' ' ASN . 49.7 mmtm -95.67 128.92 42.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.646 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' HB1' ' HA ' ' A' ' 91' ' ' PHE . . . -160.22 147.7 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.773 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.587 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.5 p -73.49 161.78 30.0 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.587 ' NZ ' ' OD1' ' A' ' 65' ' ' ASN . 13.3 mptt -62.44 -41.85 99.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.604 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.85 -40.78 92.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -104.25 13.32 32.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.734 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.587 ' N ' ' O ' ' A' ' 87' ' ' SER . 88.1 t80 -59.14 -49.39 78.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.803 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.488 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 7.5 p -70.66 -33.49 53.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.588 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.04 -40.17 94.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.545 HG12 ' CG ' ' A' ' 98' ' ' LYS . 7.1 tt -65.0 -29.12 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.992 0.425 . . . . 0.0 109.955 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.518 ' O ' HD11 ' A' ' 99' ' ' LEU . 88.9 mt -61.42 -42.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.22 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.16 -45.03 94.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.544 ' ND2' ' HA ' ' A' ' 94' ' ' ILE . 6.0 p30 -81.56 -41.04 22.18 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.542 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.545 ' CG ' HG12 ' A' ' 94' ' ' ILE . 47.8 mmtm -64.82 -40.12 94.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.979 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.58 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 8.1 mp -62.81 -42.01 99.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.113 0.482 . . . . 0.0 109.824 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -63.65 -40.8 97.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 74.8 mmtt -63.77 -39.54 94.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.701 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.58 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 44.1 pt -74.18 -38.03 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.937 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 99' ' ' LEU . 28.4 mm -62.49 -44.77 99.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.826 0.346 . . . . 0.0 110.481 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.66 -42.73 99.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.105 0.478 . . . . 0.0 109.916 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 98.1 mttt -62.65 -39.95 95.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.512 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.593 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 77.3 mt -61.63 -47.44 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.69 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.53 -41.41 98.48 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.377 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -74.99 -36.61 61.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.306 0.574 . . . . 0.0 109.975 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 106' ' ' ILE . 2.6 pp -152.95 174.5 14.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.845 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.497 ' HB2' ' HG3' ' A' ' 113' ' ' LYS . 99.3 m-20 -95.87 126.69 41.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.054 0.454 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.532 ' CD1' HG13 ' A' ' 106' ' ' ILE . 90.5 mt -63.57 -38.26 90.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.485 ' OD1' ' HB3' ' A' ' 110' ' ' ASP . 58.9 p30 -60.76 -13.99 18.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.852 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.497 ' HG3' ' HB2' ' A' ' 110' ' ' ASP . 29.5 mtpp -64.61 -38.85 92.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.319 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.714 ' CG ' ' SG ' ' A' ' 128' ' ' CYS . 30.3 m-85 -74.42 125.07 27.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.065 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.553 ' HD3' ' CA ' ' A' ' 131' ' ' LYS . 83.1 mtp180 -63.76 -39.33 94.01 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.117 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -147.93 122.15 9.57 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.994 0.426 . . . . 0.0 111.323 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.669 ' CG2' ' SG ' ' A' ' 128' ' ' CYS . 29.8 pt -130.77 150.49 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.549 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.528 ' OD1' ' HB2' ' A' ' 83' ' ' ASN . 50.0 t30 -148.73 117.07 6.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.044 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.466 ' HA ' HG13 ' A' ' 126' ' ' ILE . . . -83.64 155.63 23.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.656 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.58 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 70.8 p -127.95 161.42 29.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.989 0.423 . . . . 0.0 110.785 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.517 ' O ' ' O ' ' A' ' 120' ' ' THR . 82.4 m-20 -40.77 167.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.127 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.94 -40.95 95.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.293 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.22 -34.41 77.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.123 0.487 . . . . 0.0 110.045 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.488 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 65.5 m170 -80.3 162.82 24.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.58 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.9 m-20 -98.18 155.56 17.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.569 ' O ' ' CG2' ' A' ' 139' ' ' VAL . 13.7 tt -108.82 135.86 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.028 0.442 . . . . 0.0 110.942 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.575 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 10.2 mptt -124.65 149.93 46.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.557 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.714 ' SG ' ' CG ' ' A' ' 114' ' ' TYR . 52.1 t -133.35 126.29 31.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.47 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -108.4 127.42 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.172 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.49 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 72.6 t80 -59.88 -48.78 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.524 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.553 ' CA ' ' HD3' ' A' ' 115' ' ' ARG . 99.5 mttt -110.93 9.16 22.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.312 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.47 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.15 -12.86 68.52 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -178.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -161.23 116.13 2.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 171.09 165.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.902 0.382 . . . . 0.0 110.769 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 96.0 m -66.76 -40.98 88.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.165 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -71.47 119.0 14.99 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.982 0.42 . . . . 0.0 110.701 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -151.4 158.42 43.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.464 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 128' ' ' CYS . 52.8 tp10 -114.4 126.17 54.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.009 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.569 ' CG2' ' O ' ' A' ' 126' ' ' ILE . 10.1 p -133.97 142.97 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.815 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.488 ' CG2' ' HZ2' ' A' ' 101' ' ' LYS . 93.3 mt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.543 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.7 tpt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.67 152.49 35.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.433 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.477 ' O ' ' HB2' ' A' ' 6' ' ' SER . 94.8 m-85 -128.44 146.33 50.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.582 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.25 -40.1 98.12 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.511 ' HA ' ' OD1' ' A' ' 9' ' ' ASN . 22.3 ptmt -61.87 -22.63 65.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.61 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.477 ' HB2' ' O ' ' A' ' 3' ' ' TYR . 74.5 m -62.45 -39.97 95.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.7 mtp85 -84.37 59.61 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 52.55 32.89 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.511 ' OD1' ' HA ' ' A' ' 5' ' ' LYS . 82.8 m-20 53.86 39.68 30.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.515 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.5 m -62.24 -41.1 98.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.299 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -129.38 142.37 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.311 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -143.76 9.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.63 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -117.07 127.77 54.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -130.16 147.86 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.182 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.1 t -63.45 135.26 56.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.675 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.573 ' CZ ' ' HG2' ' A' ' 18' ' ' ARG . 94.0 t80 -151.21 120.39 6.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.325 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -150.73 106.23 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.235 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.573 ' HG2' ' CZ ' ' A' ' 16' ' ' PHE . 19.3 ptp180 -157.8 161.58 38.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.284 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.577 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 98.3 p -62.82 -26.57 68.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.922 0.391 . . . . 0.0 110.203 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 19' ' ' SER . 0.6 OUTLIER 160.8 -100.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.737 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.576 ' O ' ' O ' ' A' ' 22' ' ' GLN . 64.4 tttm -145.7 132.68 20.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.751 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 21' ' ' LYS . 30.5 mm100 53.5 127.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.77 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -61.94 -22.62 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.507 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.445 ' HG2' HE21 ' A' ' 28' ' ' GLN . 79.7 ttt180 -60.35 -44.74 95.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.417 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.33 -41.02 98.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.476 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.705 ' CE2' ' SD ' ' A' ' 30' ' ' MET . 91.0 t80 -59.48 -47.73 84.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.813 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.81 92.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.829 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.445 HE21 ' HG2' ' A' ' 24' ' ' ARG . 77.8 mt-30 -63.53 -39.63 94.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.432 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.515 ' CD ' HD22 ' A' ' 89' ' ' LEU . 54.4 tp10 -61.51 -42.14 98.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.395 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.705 ' SD ' ' CE2' ' A' ' 26' ' ' TYR . 98.4 mtp -62.37 -40.38 96.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.03 -47.88 84.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.06 0.457 . . . . 0.0 110.075 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -61.97 -44.2 97.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.582 ' CD2' ' CE1' ' A' ' 37' ' ' PHE . 8.8 tt -61.66 -44.47 96.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.617 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.19 -39.04 91.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.22 -44.57 95.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.46 -41.08 96.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.709 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.583 ' CD1' HD21 ' A' ' 45' ' ' LEU . 46.1 m-85 -66.2 -35.97 81.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.738 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.92 -41.99 92.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.21 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -93.89 10.01 35.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.355 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.598 ' CD2' ' CD1' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -102.36 86.25 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.646 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.24 140.24 58.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.361 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.552 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 90.25 -8.95 78.93 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.598 ' CD1' ' CD2' ' A' ' 40' ' ' LEU . 93.6 m95 -117.53 136.49 53.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.892 0.377 . . . . 0.0 110.46 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.664 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 71.3 m-85 -137.89 149.04 45.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.742 -179.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.583 HD21 ' CD1' ' A' ' 37' ' ' PHE . 2.7 mp -120.38 144.64 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.739 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -115.46 129.9 56.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.447 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.5 p -65.86 -37.78 87.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.801 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.67 -40.01 95.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.667 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.623 ' O ' ' C ' ' A' ' 50' ' ' ASP . 38.1 mtmm -116.82 38.93 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.623 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.6 p30 -5.87 75.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.658 0.599 . . . . 0.0 111.145 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.3 p -155.37 164.55 38.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.459 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB1' ' CE2' ' A' ' 37' ' ' PHE . . . -117.22 146.55 43.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.156 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.664 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.2 p90 -149.61 160.29 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.121 0.486 . . . . 0.0 111.216 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.648 ' CE ' ' CZ ' ' A' ' 56' ' ' PHE . 65.1 tttp -133.67 132.5 40.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.246 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 67.8 t0 -114.34 108.23 16.64 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.612 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.648 ' CZ ' ' CE ' ' A' ' 54' ' ' LYS . 76.1 m-85 -80.09 -11.96 59.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.049 0.452 . . . . 0.0 110.182 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.477 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 93.34 -10.92 72.6 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -109.81 -29.24 8.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.127 0.489 . . . . 0.0 109.993 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.586 ' CE1' HG21 ' A' ' 61' ' ' ILE . 51.3 p90 -155.47 161.28 40.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.329 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.525 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 89.0 tt0 -105.7 129.83 53.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.215 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.586 HG21 ' CE1' ' A' ' 59' ' ' TYR . 45.7 pt -127.32 138.75 53.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.788 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.628 ' NH2' ' ND2' ' A' ' 83' ' ' ASN . 52.5 ptt85 -136.24 156.02 49.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.074 0.464 . . . . 0.0 111.313 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.543 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 88.4 mt -113.45 140.48 48.06 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.549 ' O ' ' O ' ' A' ' 65' ' ' ASN . 48.5 t -148.2 151.34 35.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.337 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.549 ' O ' ' O ' ' A' ' 64' ' ' SER . 53.1 t30 -54.9 -144.77 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.556 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.484 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 95.6 m-70 -60.72 -39.77 89.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.414 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.8 m -115.52 131.01 57.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.204 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.51 ' HA ' ' OG ' ' A' ' 64' ' ' SER . . . -111.33 -46.2 3.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.807 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.593 ' OD1' ' N ' ' A' ' 70' ' ' ASN . 49.4 p-10 -66.14 -39.44 89.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.792 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.593 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 65.2 t30 -62.58 -44.26 96.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.51 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -61.81 -45.69 92.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CZ ' ' HD3' ' A' ' 49' ' ' LYS . 2.7 t80 -146.58 130.49 17.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.735 -179.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.525 ' O ' HD22 ' A' ' 75' ' ' LEU . 86.5 t60 -62.47 133.29 54.78 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.531 ' C ' HD12 ' A' ' 75' ' ' LEU . 98.8 m-20 -61.73 140.33 58.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.712 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -114.11 143.16 45.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.335 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 51.3 mp0 -103.87 116.59 32.55 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.306 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.8 10.07 41.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.692 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.33 12.25 84.75 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -129.34 158.78 38.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.748 0.308 . . . . 0.0 110.279 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.597 ' CD2' ' O ' ' A' ' 114' ' ' TYR . 0.1 OUTLIER -55.83 138.0 49.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.273 -179.779 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.535 ' N ' HD13 ' A' ' 80' ' ' LEU . 9.8 tp -129.34 135.62 61.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.582 ' CG2' ' CD1' ' A' ' 117' ' ' ILE . 57.2 t -123.0 124.57 70.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.759 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.628 ' ND2' ' NH2' ' A' ' 62' ' ' ARG . 29.2 t-20 -98.07 110.34 22.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.425 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 47.2 mm -109.96 122.9 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.803 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -87.98 136.8 32.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.423 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . . . -150.07 157.22 42.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.524 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.596 ' O ' ' N ' ' A' ' 91' ' ' PHE . 67.1 m -97.88 140.68 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 58.4 mtmt -62.55 -39.3 93.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.515 HD22 ' CD ' ' A' ' 29' ' ' GLU . 89.0 mt -62.9 -39.75 95.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.542 ' ND2' ' HB3' ' A' ' 93' ' ' ASP . 57.0 t30 -127.07 37.8 4.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.806 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.596 ' N ' ' O ' ' A' ' 87' ' ' SER . 19.3 p90 -66.59 -31.9 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.263 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 93' ' ' ASP . 7.8 p -71.44 -43.71 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.542 ' HB3' ' ND2' ' A' ' 90' ' ' ASN . 67.3 t0 -62.65 -42.04 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.754 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 95' ' ' ILE . 14.2 tt -59.51 -29.3 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.528 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.587 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 30.7 mm -61.86 -44.29 98.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.0 111.018 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.49 -40.79 97.83 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 31.8 m120 -84.99 -49.89 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.86 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.553 ' O ' HG12 ' A' ' 102' ' ' ILE . 30.3 mmmt -64.73 -41.0 96.27 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.477 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.587 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 8.5 tt -61.69 -40.16 94.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.066 0.46 . . . . 0.0 109.954 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -60.93 -38.49 86.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.349 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 50.0 mmtm -62.66 -40.02 95.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.071 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.555 ' CD1' ' N ' ' A' ' 102' ' ' ILE . 0.3 OUTLIER -77.24 -39.63 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -178.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 106' ' ' ILE . 33.3 mm -61.59 -46.08 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.501 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -65.5 -42.48 92.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.051 0.453 . . . . 0.0 110.466 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.5 mtpt -63.47 -40.91 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.251 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.559 HG22 ' N ' ' A' ' 107' ' ' ASP . 18.0 tt -66.3 -28.45 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.77 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.559 ' N ' HG22 ' A' ' 106' ' ' ILE . 98.4 m-20 -61.92 -39.71 92.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.512 ' C ' HD13 ' A' ' 109' ' ' LEU . 58.7 mtmt -73.45 -37.37 65.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.004 0.43 . . . . 0.0 110.056 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.616 ' CD2' ' C ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -152.1 168.01 26.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.954 -179.811 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -81.55 143.41 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.585 HD12 ' CE2' ' A' ' 59' ' ' TYR . 94.8 mt -67.35 -29.79 69.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.457 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.503 ' O ' HD21 ' A' ' 80' ' ' LEU . 98.5 m-20 -61.95 -19.11 62.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.031 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.46 ' HD2' ' HB2' ' A' ' 109' ' ' LEU . 68.4 mttm -64.47 -38.52 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 110.365 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.706 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 26.7 m-85 -80.81 118.71 22.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.98 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.541 ' CG ' ' HA ' ' A' ' 131' ' ' LYS . 27.9 mmm180 -63.36 -39.81 95.55 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -150.33 120.87 7.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.876 0.37 . . . . 0.0 111.073 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.669 ' CG2' ' SG ' ' A' ' 128' ' ' CYS . 31.7 pt -128.66 150.37 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.71 178.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.533 ' OD1' ' HB3' ' A' ' 83' ' ' ASN . 48.4 t30 -148.42 112.35 5.14 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.648 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.537 ' HB3' ' NZ ' ' A' ' 98' ' ' LYS . . . -90.04 156.28 18.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.011 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.578 ' O ' ' O ' ' A' ' 121' ' ' ASN . 69.1 p -124.59 161.51 26.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.578 ' O ' ' O ' ' A' ' 120' ' ' THR . 83.6 m-20 -39.34 170.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.779 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.58 -39.95 89.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.571 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.58 -34.42 77.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.057 0.456 . . . . 0.0 109.79 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.559 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 80.1 m80 -81.3 164.57 22.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.46 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.569 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.8 m-20 -97.58 160.35 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.352 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.508 ' O ' HG21 ' A' ' 139' ' ' VAL . 17.9 tt -108.95 141.92 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.021 0.438 . . . . 0.0 110.81 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.73 ' NZ ' ' CZ ' ' A' ' 129' ' ' TYR . 11.2 ptmm? -135.55 150.33 49.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.657 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.706 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 51.4 t -135.24 129.01 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.98 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.73 ' CZ ' ' NZ ' ' A' ' 127' ' ' LYS . 22.1 m-30 -110.61 129.92 55.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.59 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 71.1 t80 -60.75 -49.15 78.66 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.484 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.59 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 99.5 mttt -116.84 3.82 12.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.92 0.391 . . . . 0.0 110.38 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.441 ' HA2' ' CB ' ' A' ' 129' ' ' TYR . . . 92.5 -14.94 63.56 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.559 ' O ' ' HB3' ' A' ' 134' ' ' LYS . 87.0 t80 -162.53 115.09 1.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.616 ' N ' ' CE ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER 171.83 166.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.195 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 82.8 p -68.7 -18.06 64.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.379 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.444 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 25.4 ttmm -94.1 117.26 29.85 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.14 0.495 . . . . 0.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' A' ' 137' ' ' LYS . 9.2 ptpp? -150.81 158.32 44.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.373 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -125.52 129.38 49.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.359 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 126' ' ' ILE . 13.2 p -137.89 142.73 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.693 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.484 ' N ' HG22 ' A' ' 139' ' ' VAL . 86.9 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.556 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.9 92.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -64.17 -38.99 93.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.587 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.98 -40.4 98.4 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.67 -44.77 96.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.523 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -62.43 -39.62 93.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.7 mmt180 -61.05 -41.55 96.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.101 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -119.56 106.86 12.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.448 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -95.85 132.73 40.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.747 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.6 m -62.27 -40.23 95.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.623 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 14' ' ' ARG . 94.0 t80 -62.13 130.49 45.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.758 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.582 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 40.0 ptt180 -179.06 -52.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.726 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.582 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 64.2 mttp -100.37 3.44 43.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.677 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.585 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 16.3 mmp_? -61.89 -39.29 91.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.565 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.548 ' OG ' ' OH ' ' A' ' 11' ' ' TYR . 69.6 m -64.31 148.85 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.457 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.26 137.39 41.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.623 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.401 HD22 HD21 ' A' ' 65' ' ' ASN . 56.7 t30 -101.59 17.51 22.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -152.93 161.08 42.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.735 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.509 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 6.8 t 47.37 46.55 17.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.631 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.581 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . 65.3 t30 -61.04 -42.01 97.67 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.651 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -115.8 -65.1 1.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.481 ' O ' ' HD1' ' A' ' 26' ' ' TYR . 98.3 mt-30 -135.83 143.36 45.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.912 0.387 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.435 ' CD ' ' OG ' ' A' ' 19' ' ' SER . 55.6 mmm-85 -64.06 -38.91 92.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.583 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.96 -38.64 89.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.064 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.03 -44.15 94.81 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.314 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.581 ' OH ' ' CB ' ' A' ' 20' ' ' ASN . 76.0 m-85 -67.95 -36.33 79.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.356 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.96 91.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -63.27 -39.73 95.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.263 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.579 ' OE2' ' CD1' ' A' ' 33' ' ' LEU . 16.7 tm-20 -61.85 -40.42 95.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.189 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 60.7 ttm -60.49 -44.54 95.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.457 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.15 -39.77 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.298 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.86 -38.83 92.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.362 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.579 ' CD1' ' OE2' ' A' ' 29' ' ' GLU . 87.5 mt -61.86 -39.4 91.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.24 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.3 -39.96 94.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.298 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.41 -40.11 95.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.383 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.36 -39.89 92.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.3 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.624 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 71.1 t80 -58.58 -48.38 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.286 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.97 -38.23 87.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.464 ' C ' HD21 ' A' ' 40' ' ' LEU . 34.3 m120 -94.53 5.84 50.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.596 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 3.3 mm? -114.45 103.39 11.0 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.889 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -68.03 128.02 34.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.832 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 80.22 16.69 75.84 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.061 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.624 ' O ' ' CE1' ' A' ' 37' ' ' PHE . 93.7 m95 -118.43 138.28 52.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.993 0.396 . . . . 0.0 110.799 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.586 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 77.5 m-85 -136.86 144.33 43.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.501 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.533 HD22 ' CB ' ' A' ' 52' ' ' ALA . 92.0 mt -121.2 135.7 55.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.821 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.5 p -120.46 137.23 54.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.393 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.4 p -69.43 -37.08 77.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.99 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.455 ' HE3' ' HG3' ' A' ' 49' ' ' LYS . 67.2 ttp -60.89 -45.64 93.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.634 ' O ' ' C ' ' A' ' 50' ' ' ASP . 69.0 mttm -115.87 38.29 3.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.1 t0 -4.48 75.0 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.611 0.569 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.596 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.0 p -155.25 167.15 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -108.49 135.54 49.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.633 ' CD2' ' OE2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -110.16 136.92 48.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.481 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.608 ' HE3' ' CE2' ' A' ' 43' ' ' TRP . 10.6 ttmt -132.93 120.07 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.642 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.562 ' OD1' ' OE1' ' A' ' 60' ' ' GLU . 98.0 m-20 -104.5 122.66 46.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.758 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.578 ' CE1' ' HE2' ' A' ' 54' ' ' LYS . 1.4 m-30 -113.14 -13.78 12.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.323 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.18 -10.76 73.1 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.176 -1.169 . . . . 0.0 110.176 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 39.8 ttmt -113.04 -41.55 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.097 0.475 . . . . 0.0 110.045 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.498 ' CE1' HG22 ' A' ' 61' ' ' ILE . 53.5 p90 -153.41 160.82 42.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.468 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.633 ' OE2' ' CD2' ' A' ' 53' ' ' TYR . 52.2 tp10 -115.33 131.82 56.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.921 0.391 . . . . 0.0 111.001 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.53 ' CD1' ' HD2' ' A' ' 54' ' ' LYS . 48.8 pt -127.31 136.94 59.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.137 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.628 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 20.4 ptp180 -140.28 159.16 42.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.65 ' CD2' ' CE1' ' A' ' 91' ' ' PHE . 2.5 mp -111.96 147.4 35.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.931 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.544 ' O ' ' O ' ' A' ' 65' ' ' ASN . 43.0 t -146.76 147.86 31.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.544 ' O ' ' O ' ' A' ' 64' ' ' SER . 50.8 t30 -55.9 -149.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.893 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.464 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 86.6 t60 -59.6 -47.19 86.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' A' ' 64' ' ' SER . 40.3 t -76.36 131.55 39.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.486 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' HB3' ' HD3' ' A' ' 85' ' ' LYS . . . -114.3 23.17 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.437 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.489 ' O ' ' HD2' ' A' ' 72' ' ' TYR . 98.3 m-20 -65.95 -23.01 66.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.762 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.513 ' OD1' ' HG3' ' A' ' 71' ' ' LYS . 54.9 p30 -78.6 0.14 27.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.306 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.589 ' NZ ' ' O ' ' A' ' 84' ' ' ILE . 99.2 mttt -98.86 7.56 45.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.26 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.489 ' HD2' ' O ' ' A' ' 69' ' ' ASP . 27.5 p90 -65.34 141.53 58.54 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.201 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 71' ' ' LYS . 96.7 m-70 -128.1 126.29 40.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.714 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -113.35 6.56 17.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.393 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.8 tp -139.39 126.26 20.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.511 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -82.76 130.93 35.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.268 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.555 ' OD1' ' O ' ' A' ' 77' ' ' ASN . 55.4 t-20 -100.39 4.42 43.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.707 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.76 13.83 82.69 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.527 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 45.7 ptt85 -134.76 161.02 36.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' A' ' 80' ' ' LEU . 2.5 mm? -77.13 146.64 37.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.783 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.446 HG12 HH12 ' A' ' 79' ' ' ARG . 85.9 mt -119.47 129.69 74.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.847 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.525 HG22 ' CD1' ' A' ' 117' ' ' ILE . 68.2 t -109.96 123.57 65.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.26 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.57 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 98.6 m-20 -106.04 120.02 40.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.748 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.589 ' O ' ' NZ ' ' A' ' 71' ' ' LYS . 3.8 mp -119.7 125.11 74.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.428 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.452 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 56.9 mtmt -101.69 130.66 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.591 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -159.56 152.52 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.642 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.552 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 40.4 t -65.45 139.7 58.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.266 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.517 ' HD3' ' OE1' ' A' ' 29' ' ' GLU . 19.3 ptpt -61.42 -28.32 69.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.599 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 29' ' ' GLU . 88.3 mt -64.09 -39.57 94.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.552 ' OD1' ' O ' ' A' ' 87' ' ' SER . 55.3 p30 -103.33 23.28 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.51 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.65 ' CE1' ' CD2' ' A' ' 63' ' ' LEU . 80.5 t80 -58.78 -49.12 78.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.06 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.574 ' O ' ' OE1' ' A' ' 96' ' ' GLU . 68.3 t -62.06 -47.1 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.12 0.486 . . . . 0.0 110.603 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.05 -39.68 93.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.54 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.53 HG21 ' O ' ' A' ' 91' ' ' PHE . 4.3 tp -64.38 -29.84 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.014 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.55 HG23 ' N ' ' A' ' 96' ' ' GLU . 14.4 tt -62.81 -37.29 78.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.103 -178.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.574 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 53.6 mp0 -65.16 -44.53 88.25 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.18 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.558 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 58.8 t-20 -74.91 -44.62 47.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.331 . . . . 0.0 111.476 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.56 ' NZ ' ' CD1' ' A' ' 63' ' ' LEU . 39.6 ttpt -64.03 -43.54 95.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.034 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 95' ' ' ILE . 4.9 mp -56.7 -39.97 74.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.087 0.47 . . . . 0.0 109.905 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.42 -38.47 89.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.61 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.609 ' O ' ' NZ ' ' A' ' 105' ' ' LYS . 32.1 mmmt -61.8 -44.16 97.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.248 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 98' ' ' LYS . 2.0 mm -75.18 -41.21 44.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.707 -178.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 106' ' ' ILE . 32.8 mm -61.89 -45.02 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.636 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.58 -44.63 90.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.721 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.609 ' NZ ' ' O ' ' A' ' 101' ' ' LYS . 37.1 mtmm -63.77 -41.2 98.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.09 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.549 HG21 ' N ' ' A' ' 107' ' ' ASP . 17.5 tt -70.42 -32.68 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.78 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.549 ' N ' HG21 ' A' ' 106' ' ' ILE . 98.4 m-20 -62.08 -40.43 95.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.22 -36.64 17.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.472 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 105' ' ' LYS . 1.0 OUTLIER -157.21 144.87 18.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.782 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.417 ' HB2' ' HZ2' ' A' ' 113' ' ' LYS . 98.7 m-20 -68.48 148.9 49.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 111' ' ' LEU . 10.9 mp -71.24 -11.82 61.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.109 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.536 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 65.9 t0 -59.56 -34.48 72.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.756 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.529 ' N ' ' HD2' ' A' ' 113' ' ' LYS . 14.1 mptt -64.93 -22.29 66.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.701 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.554 ' OH ' ' OE1' ' A' ' 138' ' ' GLU . 53.0 m-85 -97.17 111.73 23.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.491 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.542 ' HB3' ' N ' ' A' ' 132' ' ' GLY . 0.0 OUTLIER -63.16 -43.5 98.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.277 179.77 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 118' ' ' ASN . 93.1 t80 -129.08 126.69 39.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.525 ' CD1' HG22 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -127.53 133.08 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.397 179.76 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.57 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 65.6 t30 -146.45 112.13 5.62 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.341 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.472 ' HA ' HG13 ' A' ' 126' ' ' ILE . . . -82.43 152.95 25.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.342 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.585 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 40.0 p -122.97 161.46 24.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.253 -179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.566 ' O ' ' O ' ' A' ' 120' ' ' THR . 22.1 m120 -40.54 171.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.13 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.53 -40.29 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.141 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.02 -34.62 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.135 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.494 ' C ' ' OG1' ' A' ' 120' ' ' THR . 79.7 m80 -87.98 158.53 18.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.585 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.2 m-20 -99.06 168.82 9.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.517 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 118' ' ' ASN . 17.7 tt -108.04 133.29 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.045 0.45 . . . . 0.0 110.409 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.44 ' HG2' ' HB ' ' A' ' 139' ' ' VAL . 46.0 mttm -128.41 145.36 51.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.695 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 31.5 p -136.99 164.26 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.474 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.8 m-85 -117.73 140.26 49.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.241 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -60.06 -49.26 78.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.728 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -117.63 11.64 13.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.483 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.542 ' N ' ' HB3' ' A' ' 115' ' ' ARG . . . 93.96 -15.28 63.48 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.525 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.5 t80 -161.78 116.17 1.93 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 65.0 tttp 174.21 158.88 0.16 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.328 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.455 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 13.1 t -68.23 -7.49 30.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.606 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.456 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 60.3 tptt -101.75 120.68 40.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.967 0.413 . . . . 0.0 110.778 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -150.69 158.78 44.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.343 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.554 ' OE1' ' OH ' ' A' ' 114' ' ' TYR . 99.0 mt-10 -123.77 143.34 50.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 10.5 p -141.07 141.26 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.652 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.495 ' CG2' ' HZ2' ' A' ' 101' ' ' LYS . 90.2 mt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.608 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.512 ' O ' ' HG3' ' A' ' 5' ' ' LYS . 63.4 tpp . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.0 92.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.515 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 93.9 t80 -62.42 131.85 50.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.508 ' C ' ' HD3' ' A' ' 5' ' ' LYS . . . 90.19 -7.73 81.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.515 ' HE3' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -137.66 4.75 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.467 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 48.2 t -61.09 -44.69 96.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.555 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -62.29 -41.21 98.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.524 179.824 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.595 ' O ' ' N ' ' A' ' 10' ' ' SER . 89.9 m-85 -66.77 -36.78 83.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.173 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.576 ' OD1' ' O ' ' A' ' 8' ' ' TYR . 42.5 p-10 23.51 44.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.664 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.603 ' OG ' ' CD1' ' A' ' 11' ' ' TYR . 40.6 t -66.01 139.44 58.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.603 ' CD1' ' OG ' ' A' ' 10' ' ' SER . 94.6 m-85 55.87 31.71 18.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.786 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.578 ' NH1' ' O ' ' A' ' 14' ' ' ARG . 53.0 tpt85 -75.72 127.55 33.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' O ' ' O ' ' A' ' 14' ' ' ARG . 99.4 mttt -108.74 108.52 19.38 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.243 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.605 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 99.7 mtt180 34.52 -164.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.196 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.505 ' O ' ' NH2' ' A' ' 12' ' ' ARG . 75.1 m -63.31 -39.62 95.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.443 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.498 ' HD1' ' O ' ' A' ' 17' ' ' ASN . 55.4 p90 -151.04 160.53 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.313 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.498 ' O ' ' HD1' ' A' ' 16' ' ' PHE . 44.9 p30 -81.4 168.66 18.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.814 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' NH2' ' HE3' ' A' ' 88' ' ' LYS . 77.3 mtp85 -64.39 -40.92 96.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 94.9 p -160.25 163.94 33.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.709 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' A' ' 19' ' ' SER . 55.7 t30 175.77 -7.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -60.38 -46.13 91.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 110.521 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.534 ' OE1' ' CD ' ' A' ' 25' ' ' GLU . 64.4 tt0 -150.73 127.65 11.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -61.79 -44.46 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.636 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -61.07 -43.81 98.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.991 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.534 ' CD ' ' OE1' ' A' ' 22' ' ' GLN . 98.3 mt-10 -62.19 -40.16 95.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.8 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.465 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 91.3 t80 -60.36 -49.23 78.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.496 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.81 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.648 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -62.38 -41.81 98.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.511 ' CD ' HD12 ' A' ' 89' ' ' LEU . 98.2 mt-10 -63.12 -40.32 97.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.4 -41.11 98.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.57 -41.1 98.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.566 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' NH2' ' HB ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -62.27 -43.47 98.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.36 179.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.408 HD22 ' HG2' ' A' ' 88' ' ' LYS . 61.6 tp -62.23 -42.75 99.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.526 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.89 -39.5 92.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.764 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.1 -46.63 88.97 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.288 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.596 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . -62.69 -40.55 97.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.294 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.439 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 89.3 t80 -58.62 -46.86 86.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.307 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.51 -39.28 90.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.101 0.477 . . . . 0.0 110.116 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.583 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 31.2 p30 -96.36 13.4 27.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.642 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.596 ' CD1' ' O ' ' A' ' 36' ' ' ALA . 1.7 mp -109.87 84.35 1.91 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.533 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.465 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 99.1 m-20 -63.89 140.79 58.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.615 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 75.41 19.42 79.45 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.658 ' CZ3' ' NZ ' ' A' ' 54' ' ' LYS . 76.1 m95 -118.31 132.2 56.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.809 0.338 . . . . 0.0 110.685 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 72.8 m-85 -138.11 128.49 26.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.484 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.532 ' HA ' ' O ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -138.52 155.13 48.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.951 0.405 . . . . 0.0 111.233 179.639 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -120.3 131.69 55.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.302 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.8 t -61.29 -43.0 99.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.77 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.2 tpt -60.6 -44.33 96.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.957 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.8 mtmt -107.42 38.52 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.698 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.605 ' C ' ' O ' ' A' ' 49' ' ' LYS . 97.4 m-20 -4.54 73.12 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.639 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.608 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.4 t -151.26 141.98 22.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.148 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' ' 62' ' ' ARG . . . -121.57 145.81 47.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.468 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.2 p90 -148.44 160.58 42.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.658 ' NZ ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -126.06 146.67 49.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.663 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.572 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 53.3 p-10 -114.47 108.46 16.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 99.0 m-85 -97.34 -6.75 33.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.157 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.6 74.67 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.525 ' O ' ' HD2' ' A' ' 79' ' ' ARG . 99.7 mttt -115.41 -28.42 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.651 ' CZ ' HD23 ' A' ' 111' ' ' LEU . 52.4 p90 -157.97 161.03 38.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.996 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 89.0 tt0 -114.76 125.6 53.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.588 HG23 ' CD1' ' A' ' 59' ' ' TYR . 47.1 pt -130.81 137.9 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.451 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.508 ' C ' HD13 ' A' ' 63' ' ' LEU . 20.1 ptp180 -140.12 157.13 46.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 111.08 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.552 HD12 ' NZ ' ' A' ' 54' ' ' LYS . 8.6 mp -112.45 133.2 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.254 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 67.1 m -133.03 177.38 7.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.55 ' OD1' ' N ' ' A' ' 67' ' ' SER . 47.6 p30 -72.15 -169.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.458 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 32.4 p80 -56.36 -24.55 44.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.504 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.55 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 78.7 p -123.01 91.92 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.962 0.41 . . . . 0.0 110.248 179.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.78 94.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.939 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 72' ' ' TYR . 67.5 t0 -60.96 -43.87 98.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.416 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 99.1 m-20 -61.58 -42.69 99.22 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.896 -179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.583 ' CE ' ' O ' ' A' ' 50' ' ' ASP . 63.0 mtpt -66.17 -40.24 90.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.962 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.553 ' O ' ' O ' ' A' ' 69' ' ' ASP . 52.7 p90 -147.6 162.39 39.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.768 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -102.96 150.59 23.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.247 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -62.55 126.71 28.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.618 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.1 mt -115.69 144.75 43.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -79.05 71.73 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.938 0.399 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -64.09 -31.32 72.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.649 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.77 4.59 90.0 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.525 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 22.8 tpp85 -127.2 150.31 49.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.582 ' CD2' ' O ' ' A' ' 114' ' ' TYR . 0.1 OUTLIER -54.97 128.48 33.71 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.319 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 79' ' ' ARG . 89.2 mt -119.28 130.99 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.431 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.604 ' CG2' ' CD1' ' A' ' 117' ' ' ILE . 59.9 t -114.28 122.6 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.647 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.557 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 33.0 m120 -104.65 119.45 39.03 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.638 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 86.4 mt -123.35 128.11 74.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.807 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 64' ' ' SER . 99.3 mttt -76.75 136.15 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.706 -0.398 . . . . 0.0 109.967 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.528 ' CB ' HG21 ' A' ' 94' ' ' ILE . . . -153.78 159.44 41.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.046 0.451 . . . . 0.0 111.125 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.7 t -119.47 147.93 43.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.982 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.535 ' HE3' ' NH2' ' A' ' 18' ' ' ARG . 98.2 mttt -60.71 -40.46 92.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.64 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.511 HD12 ' CD ' ' A' ' 29' ' ' GLU . 7.6 mp -63.87 -39.94 95.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 110.417 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -110.23 23.8 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.583 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.594 ' N ' ' O ' ' A' ' 87' ' ' SER . 93.3 t80 -58.4 -48.52 80.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.74 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.549 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 58.3 t -62.33 -43.59 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 110.274 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -62.52 -43.65 98.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.681 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.589 ' CD1' ' NZ ' ' A' ' 98' ' ' LYS . 6.3 tp -64.36 -36.42 77.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.105 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 43.9 pt -73.19 -25.96 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.504 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -64.05 -43.72 94.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.636 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -88.5 -45.73 9.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.431 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.609 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -64.48 -40.82 96.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.38 -179.313 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.584 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 8.5 tt -68.24 -40.91 81.86 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.654 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.3 -41.54 96.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.608 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.609 ' CG ' ' O ' ' A' ' 98' ' ' LYS . 39.5 pttt -61.93 -32.39 72.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.024 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.584 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 99.1 mt -68.48 -44.42 83.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.098 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.485 HG21 HD13 ' A' ' 103' ' ' ILE . 34.9 mm -62.11 -47.61 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.37 -44.93 93.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.623 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.579 ' O ' ' O ' ' A' ' 109' ' ' LEU . 41.2 ttmt -62.03 -45.16 94.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.403 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 79.6 mt -62.02 -42.61 95.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.555 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.05 -38.54 83.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.688 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -94.1 -27.69 16.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.164 0.507 . . . . 0.0 109.993 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.586 ' CD2' ' OH ' ' A' ' 114' ' ' TYR . 24.8 tp -154.88 129.06 8.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.003 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.55 141.08 57.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.632 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.651 HD23 ' CZ ' ' A' ' 59' ' ' TYR . 3.0 pp -77.08 -16.27 59.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.35 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.478 ' OD1' ' HB3' ' A' ' 59' ' ' TYR . 97.9 m-20 -70.17 -15.3 62.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.273 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.487 ' HG3' ' CD1' ' A' ' 109' ' ' LEU . 75.1 mmtt -65.13 -38.44 90.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.173 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.705 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 4.6 m-85 -79.01 118.09 20.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.254 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.537 ' CG ' ' HA ' ' A' ' 131' ' ' LYS . 6.6 mmp_? -63.27 -39.91 95.93 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.382 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -146.24 120.65 9.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.856 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.664 ' CG2' ' SG ' ' A' ' 128' ' ' CYS . 38.3 pt -130.92 148.42 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.297 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.557 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 50.7 t30 -149.26 116.21 5.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.606 ' CB ' ' NZ ' ' A' ' 101' ' ' LYS . . . -99.06 125.67 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.187 0.517 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.595 ' OG1' ' CB ' ' A' ' 124' ' ' HIS . 72.1 p -82.66 162.91 21.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.701 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.547 ' O ' ' O ' ' A' ' 120' ' ' THR . 99.2 m-20 -42.21 174.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.709 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.452 HD23 ' HE3' ' A' ' 98' ' ' LYS . 87.8 mt -61.03 -40.32 93.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.2 -34.79 78.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.1 0.476 . . . . 0.0 109.941 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.595 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 79.7 m80 -85.14 164.99 17.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.224 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.558 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.9 m-20 -97.65 158.64 15.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 111.006 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -108.96 130.02 62.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.947 -179.412 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.579 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 10.0 mptt -120.46 151.61 39.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.353 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.705 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 51.4 t -131.96 129.25 39.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.594 ' CE2' ' HD3' ' A' ' 137' ' ' LYS . 97.5 m-85 -107.91 130.5 55.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.845 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -59.3 -50.27 74.65 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.399 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.562 ' NZ ' ' HD3' ' A' ' 134' ' ' LYS . 3.1 pttm -119.46 19.1 12.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.131 0.491 . . . . 0.0 109.796 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.472 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.96 -13.43 67.68 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.016 -1.233 . . . . 0.0 110.016 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 87.9 t80 -162.54 116.9 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.562 ' HD3' ' NZ ' ' A' ' 131' ' ' LYS . 35.1 ttpt 176.28 164.05 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.884 0.374 . . . . 0.0 110.855 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.425 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 10.9 t -68.5 -23.97 64.62 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.796 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.523 ' HB3' ' CE ' ' A' ' 134' ' ' LYS . 23.9 tptm -90.45 115.38 27.57 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.996 0.427 . . . . 0.0 110.578 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.594 ' HD3' ' CE2' ' A' ' 129' ' ' TYR . 56.0 mtmt -142.71 154.75 44.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.486 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.556 ' OE1' ' OH ' ' A' ' 114' ' ' TYR . 99.3 mt-10 -115.24 142.05 47.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.319 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.53 ' O ' ' CD1' ' A' ' 140' ' ' ILE . 11.1 p -130.86 140.75 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.973 0.416 . . . . 0.0 110.687 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.53 ' CD1' ' O ' ' A' ' 139' ' ' VAL . 25.6 mm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.518 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.481 ' HG3' ' HB2' ' A' ' 3' ' ' TYR . 25.4 ptp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.574 ' CB ' ' OD1' ' A' ' 9' ' ' ASN . . . 64.92 9.49 5.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.728 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.481 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 89.1 t80 -60.67 -48.16 83.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.091 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.28 42.35 0.98 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.185 -0.531 . . . . 0.0 111.959 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 3' ' ' TYR . 98.9 mttt 51.35 55.03 10.08 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.908 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 8' ' ' TYR . 83.1 p -67.22 162.1 23.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.821 0.343 . . . . 0.0 110.25 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.494 ' HB3' ' HD3' ' A' ' 12' ' ' ARG . 2.6 mpp_? -43.62 89.69 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.161 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' A' ' 6' ' ' SER . 94.0 m-85 50.3 23.43 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.941 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.574 ' OD1' ' CB ' ' A' ' 2' ' ' ALA . 79.4 m-20 44.28 -132.65 0.74 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.398 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 t 41.17 -142.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -105.73 9.21 33.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.494 ' HD3' ' HB3' ' A' ' 7' ' ' ARG . 4.6 mmm-85 69.77 32.94 3.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HE2' ' NE ' ' A' ' 14' ' ' ARG . 22.3 ptmt -153.93 156.33 37.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.35 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.527 ' NE ' ' HE2' ' A' ' 13' ' ' LYS . 89.9 mtm180 50.2 44.78 26.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.389 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.2 m -61.85 -40.32 94.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.18 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 14' ' ' ARG . 69.3 m-85 55.15 49.22 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.588 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -61.16 141.0 57.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.535 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' HD2' ' O ' ' A' ' 21' ' ' LYS . 99.8 mtt180 -130.28 149.15 52.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.549 ' OG ' ' OH ' ' A' ' 26' ' ' TYR . 90.5 p -62.48 -35.87 80.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.684 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.519 ' HB2' ' OH ' ' A' ' 26' ' ' TYR . 57.8 t30 -117.72 -75.52 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.509 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HG3' ' N ' ' A' ' 22' ' ' GLN . 26.4 pttm -172.93 -47.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.654 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.56 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 98.5 mt-30 -134.33 144.73 48.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -67.05 -20.54 65.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.355 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HD3' ' C ' ' A' ' 24' ' ' ARG . 4.7 tmt_? -60.48 -42.25 95.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.822 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 54.5 tp10 -60.28 -44.11 95.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.573 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.549 ' OH ' ' OG ' ' A' ' 19' ' ' SER . 80.4 m-85 -69.57 -39.77 77.16 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.653 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.85 97.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.13 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 5.2 pp0? -73.6 -25.45 60.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.471 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.507 ' OE2' ' HA ' ' A' ' 89' ' ' LEU . 54.0 tp10 -62.06 -42.91 99.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.562 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.1 mmm -62.96 -40.48 97.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.92 -40.71 96.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.423 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HD3' ' C ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -61.61 -44.36 97.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.421 179.677 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD12 ' CD2' ' A' ' 91' ' ' PHE . 62.6 tp -61.56 -44.65 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.637 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.86 -39.42 94.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -60.63 -43.94 96.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.516 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.18 -40.03 92.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.66 ' CE2' ' CB ' ' A' ' 52' ' ' ALA . 41.5 m-85 -65.94 -35.26 80.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.044 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.582 ' OE1' ' OD1' ' A' ' 39' ' ' ASN . 16.7 tm-20 -59.86 -39.44 85.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.13 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.582 ' OD1' ' OE1' ' A' ' 38' ' ' GLU . 98.0 m-20 -97.88 8.68 44.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -104.88 82.78 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.795 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.05 141.61 58.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.448 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.559 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 92.06 -4.59 78.11 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.581 -0.607 . . . . 0.0 111.581 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.594 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 95.0 m95 -116.71 138.4 51.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 110.358 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 65.9 m-85 -135.62 147.76 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.715 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.583 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 2.7 mp -120.07 143.88 47.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.75 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.535 ' OG ' ' HG3' ' A' ' 49' ' ' LYS . 88.3 p -120.69 140.18 51.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.951 0.405 . . . . 0.0 110.625 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -68.1 -38.96 82.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.673 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 tpt -59.11 -46.21 88.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.105 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.611 ' O ' ' N ' ' A' ' 51' ' ' SER . 7.2 ptpp? -121.06 54.42 1.09 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.204 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.602 ' C ' ' O ' ' A' ' 49' ' ' LYS . 59.1 p30 -15.74 82.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.611 ' N ' ' O ' ' A' ' 49' ' ' LYS . 97.0 p -155.57 164.19 38.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.561 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.66 ' CB ' ' CE2' ' A' ' 37' ' ' PHE . . . -126.06 141.88 51.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.54 ' HB3' ' CB ' ' A' ' 62' ' ' ARG . 52.2 p90 -151.67 160.84 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.022 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.594 ' HE2' ' CE2' ' A' ' 43' ' ' TRP . 34.3 ttpt -133.23 136.36 45.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.784 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -98.6 129.8 45.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.037 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.585 ' CZ ' ' HE3' ' A' ' 54' ' ' LYS . 97.7 m-85 -101.48 -4.34 26.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.12 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.9 -10.76 72.77 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 57.8 mtmt -115.54 -32.3 5.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.952 0.406 . . . . 0.0 110.538 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.655 ' CZ ' HD12 ' A' ' 106' ' ' ILE . 53.8 p90 -154.91 161.53 41.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.422 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.532 ' HG2' ' CD1' ' A' ' 81' ' ' ILE . 88.9 tt0 -113.99 129.33 56.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.942 0.401 . . . . 0.0 110.963 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.58 HG21 ' CD1' ' A' ' 59' ' ' TYR . 48.1 pt -127.8 138.45 54.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.01 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.654 ' CZ ' ' ND2' ' A' ' 83' ' ' ASN . 51.6 ptt85 -138.81 158.95 43.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.017 0.437 . . . . 0.0 111.158 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.577 HD13 ' CE1' ' A' ' 91' ' ' PHE . 84.1 mt -109.15 144.58 37.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.192 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 91.2 p -147.29 164.09 34.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -56.85 169.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.791 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.502 ' O ' ' HD3' ' A' ' 85' ' ' LYS . 62.1 m170 -61.27 -38.59 87.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.739 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.5 p -68.15 156.07 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.159 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.409 ' HA ' ' HB2' ' A' ' 71' ' ' LYS . . . -85.11 14.31 5.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.082 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.5 -44.58 93.07 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.603 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -97.17 -0.99 45.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.742 0.306 . . . . 0.0 110.801 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.588 ' O ' ' NH2' ' A' ' 62' ' ' ARG . 41.2 ttmt -61.76 -43.39 98.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.906 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -76.84 143.37 39.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.634 ' CE1' ' O ' ' A' ' 75' ' ' LEU . 21.2 t-160 -118.17 120.33 37.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.136 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.598 ' OD1' ' N ' ' A' ' 75' ' ' LEU . 53.8 p-10 -62.66 -33.24 74.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.173 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.634 ' O ' ' CE1' ' A' ' 73' ' ' HIS . 87.6 mt -114.85 144.67 43.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.804 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -99.57 134.6 42.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.426 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 60' ' ' GLU . 58.8 t30 -82.0 -12.02 58.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.803 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.9 2.7 90.63 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 58' ' ' LYS . 56.9 mmm-85 -129.55 155.38 45.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.297 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 114' ' ' TYR . 3.8 mm? -56.36 141.12 43.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.263 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.532 ' CD1' ' HG2' ' A' ' 60' ' ' GLU . 11.1 tp -131.18 141.92 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.535 ' CG1' HG22 ' A' ' 117' ' ' ILE . 95.9 t -117.46 125.15 73.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.226 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.654 ' ND2' ' CZ ' ' A' ' 62' ' ' ARG . 32.7 m120 -101.71 126.01 48.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.647 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.546 ' HB ' ' CD2' ' A' ' 63' ' ' LEU . 84.5 mt -121.95 126.8 74.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.502 ' HD3' ' O ' ' A' ' 66' ' ' HIS . 64.3 mttp -85.25 131.35 34.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.633 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -157.95 140.26 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.5 p -74.28 159.73 32.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.355 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -63.65 -40.73 97.59 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.689 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.507 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 9.6 tt -63.12 -44.56 95.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.75 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.482 ' CG ' HD21 ' A' ' 89' ' ' LEU . 33.7 m120 -104.87 16.86 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.512 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' A' ' 87' ' ' SER . 90.1 t80 -58.96 -49.3 78.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.496 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.544 ' O ' HG21 ' A' ' 95' ' ' ILE . 34.0 m -73.34 -35.56 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.743 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.81 -40.0 93.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.654 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 91' ' ' PHE . 6.1 tt -65.94 -28.78 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.108 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.576 ' O ' ' CD1' ' A' ' 99' ' ' LEU . 5.3 tp -57.3 -39.76 69.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.476 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.555 ' N ' HG21 ' A' ' 95' ' ' ILE . 88.9 tt0 -63.29 -49.41 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.606 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.512 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 99.4 m-20 -70.81 -39.3 73.14 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.88 0.371 . . . . 0.0 111.555 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.532 ' HG2' ' CD1' ' A' ' 84' ' ' ILE . 0.7 OUTLIER -67.25 -36.25 81.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.088 -179.179 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.576 ' CD1' ' O ' ' A' ' 95' ' ' ILE . 3.5 mp -57.17 -43.76 82.9 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.224 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.27 -38.36 90.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.205 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 35.2 mmtp -64.91 -39.35 93.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.439 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.54 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 45.5 pt -77.17 -36.33 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.103 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 99' ' ' LEU . 87.5 mt -62.18 -45.7 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.585 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 88.8 tt0 -63.27 -42.4 99.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.112 0.482 . . . . 0.0 110.045 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.571 ' O ' ' O ' ' A' ' 109' ' ' LEU . 58.3 mtmt -63.87 -40.26 96.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.655 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -73.33 -44.1 55.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.931 -179.283 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.585 ' OD1' ' O ' ' A' ' 104' ' ' GLU . 56.6 p30 -77.88 -4.32 46.13 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.632 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.528 ' HG2' ' OD1' ' A' ' 107' ' ' ASP . 31.7 mmmt -113.17 -32.28 6.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.189 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.582 ' CD2' ' OE1' ' A' ' 138' ' ' GLU . 2.4 pp -157.13 132.5 9.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.7 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.09 146.01 51.23 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.38 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.591 HD12 ' CG ' ' A' ' 59' ' ' TYR . 96.5 mt -79.3 -13.05 59.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.031 0.443 . . . . 0.0 110.265 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.22 -37.83 81.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.364 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -64.33 -39.3 93.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.511 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.559 ' OH ' ' OE1' ' A' ' 138' ' ' GLU . 93.6 m-85 -78.9 149.99 32.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.586 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.537 ' HB2' ' N ' ' A' ' 132' ' ' GLY . 41.6 mmt180 -104.56 -29.34 10.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.239 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.47 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 90.5 t80 -147.63 127.99 13.95 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.242 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.559 HG13 ' CB ' ' A' ' 128' ' ' CYS . 1.4 mp -126.4 138.37 54.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.049 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.418 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 67.0 t30 -137.59 111.3 8.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.46 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.451 ' CB ' HG12 ' A' ' 84' ' ' ILE . . . -101.13 132.77 46.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.662 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.612 ' CG2' ' CB ' ' A' ' 124' ' ' HIS . 14.8 m -97.32 162.52 13.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.115 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.609 ' O ' ' O ' ' A' ' 120' ' ' THR . 55.4 t30 -37.95 173.57 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.227 0.537 . . . . 0.0 111.674 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.503 ' CD1' HD21 ' A' ' 97' ' ' ASN . 86.6 mt -60.26 -39.52 87.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.437 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.12 -33.84 76.97 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CB ' ' CG2' ' A' ' 120' ' ' THR . 80.2 m80 -89.68 165.12 14.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.712 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -98.18 171.02 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.74 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.593 ' CD1' ' C ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -107.97 137.04 41.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.002 -179.556 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.535 ' HG2' ' CG2' ' A' ' 139' ' ' VAL . 98.5 mttt -125.77 150.66 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.752 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 138' ' ' GLU . 30.3 p -135.91 156.09 49.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.446 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.7 m-85 -118.18 133.22 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.028 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.466 ' HD2' ' HG3' ' A' ' 131' ' ' LYS . 77.4 t80 -60.05 -49.14 78.85 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.704 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.538 ' HD2' ' CE ' ' A' ' 134' ' ' LYS . 99.0 mttt -105.07 7.27 33.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 110.096 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.537 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 94.82 -15.61 63.0 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.0 t80 -160.92 115.47 2.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 23.4 ttmm 173.41 164.97 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.543 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.523 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 96.2 m -66.45 -40.98 89.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.081 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -69.0 121.37 16.49 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.015 0.436 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 19.5 ptpt -151.34 158.96 44.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.412 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.591 ' HB3' ' SG ' ' A' ' 128' ' ' CYS . 88.8 tt0 -117.76 126.87 53.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.898 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.535 ' CG2' ' HG2' ' A' ' 127' ' ' LYS . 88.5 t -119.83 127.84 75.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.533 ' CD1' ' HD3' ' A' ' 105' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.627 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 28.5 ptm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.86 145.9 55.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.568 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.627 ' CE1' ' O ' ' A' ' 1' ' ' MET . 97.3 m-85 -125.25 141.21 52.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.318 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.46 169.99 54.59 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.348 -1.101 . . . . 0.0 110.348 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 61.32 34.16 18.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.732 0.301 . . . . 0.0 110.371 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -118.59 -110.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.404 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -60.96 -41.63 96.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.108 0.48 . . . . 0.0 109.776 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.599 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 53.1 p90 -139.37 121.52 15.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.333 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.526 ' ND2' ' HB3' ' A' ' 11' ' ' TYR . 54.1 p30 -84.38 179.35 7.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.51 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 68.7 m -89.22 -5.48 57.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.288 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.526 ' HB3' ' ND2' ' A' ' 9' ' ' ASN . 92.9 t80 -60.09 -47.69 84.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.815 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 29.3 mmt85 -61.69 -39.58 91.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.74 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 10' ' ' SER . 31.0 mtpp 59.6 -97.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.702 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 99.8 mtt180 60.37 36.06 20.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.623 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.4 p -65.99 -22.15 66.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.546 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.584 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 90.9 m-85 -76.41 144.49 39.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.73 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.619 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 53.4 p30 -91.95 8.58 36.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.584 ' NH1' ' O ' ' A' ' 16' ' ' PHE . 1.6 mpp_? 58.3 42.53 21.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.964 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.1 t -99.73 111.3 23.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.879 0.371 . . . . 0.0 110.467 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -63.72 -39.52 94.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.322 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' CG ' ' OE1' ' A' ' 25' ' ' GLU . 2.1 mptp? -98.77 150.62 21.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.087 0.47 . . . . 0.0 111.317 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -81.02 163.53 23.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.701 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.619 ' NH2' ' ND2' ' A' ' 17' ' ' ASN . 12.6 mpt_? -62.72 -20.14 64.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.566 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -59.14 -43.41 92.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.523 ' OE1' ' CG ' ' A' ' 21' ' ' LYS . 88.8 tt0 -61.26 -42.23 98.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.412 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -64.73 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.56 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.18 91.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.575 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -62.98 -39.88 96.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.403 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 88' ' ' LYS . 54.5 tp10 -62.03 -42.18 98.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.541 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -62.41 -40.33 96.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.74 -40.13 94.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.368 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.36 -43.78 98.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.533 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.63 -39.85 95.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.29 -40.62 96.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.387 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.29 -44.44 97.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.082 0.467 . . . . 0.0 109.83 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.71 -38.07 86.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.279 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' HB2' ' CD1' ' A' ' 45' ' ' LEU . 93.7 t80 -58.22 -47.28 84.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.357 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.592 ' OE1' ' ND2' ' A' ' 39' ' ' ASN . 16.7 tm-20 -59.55 -40.36 86.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.919 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.592 ' ND2' ' OE1' ' A' ' 38' ' ' GLU . 34.5 m120 -99.17 12.58 35.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.98 0.419 . . . . 0.0 110.31 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 43' ' ' TRP . 1.2 mt -94.08 77.08 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.414 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -67.57 129.05 38.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 83.08 2.3 90.58 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.593 ' CD1' HD21 ' A' ' 40' ' ' LEU . 93.4 m95 -119.15 144.16 46.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.659 0.266 . . . . 0.0 110.713 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.472 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 80.2 m-85 -131.99 143.74 50.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.646 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD1' ' HB2' ' A' ' 37' ' ' PHE . 92.0 mt -115.03 135.28 54.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.648 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.515 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 40.4 t -120.51 128.28 52.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.138 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.448 ' HA ' ' OD1' ' A' ' 50' ' ' ASP . 48.0 t -63.45 -45.15 92.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.3 tpt -61.09 -44.36 97.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.358 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.624 ' O ' ' N ' ' A' ' 51' ' ' SER . 75.5 mmtt -112.66 38.7 2.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.378 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' LYS . 97.4 m-20 -13.56 79.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.628 0.58 . . . . 0.0 111.078 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.7 t -156.71 147.51 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.062 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.494 ' O ' ' HA ' ' A' ' 62' ' ' ARG . . . -113.29 140.04 48.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.712 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 53.7 p90 -148.44 159.04 44.43 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.322 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.64 ' CD ' ' CZ ' ' A' ' 56' ' ' PHE . 41.1 ttmt -117.0 126.65 53.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.894 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -101.29 104.8 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.737 ' CD1' ' CZ ' ' A' ' 59' ' ' TYR . 70.9 m-85 -86.83 -10.98 52.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 109.952 178.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.94 -9.58 77.4 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm -112.68 -30.56 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.277 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.737 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 55.1 p90 -153.99 161.67 41.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -117.42 129.08 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.14 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.585 HG21 ' CE1' ' A' ' 59' ' ' TYR . 48.2 pt -126.08 136.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.6 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.512 HH21 ' CB ' ' A' ' 51' ' ' SER . 8.9 ptm180 -140.81 155.64 46.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.535 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.538 ' CD2' ' CG2' ' A' ' 84' ' ' ILE . 89.1 mt -112.96 127.6 56.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.129 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.538 ' O ' ' O ' ' A' ' 65' ' ' ASN . 70.4 m -137.51 160.03 40.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.538 ' O ' ' O ' ' A' ' 64' ' ' SER . 51.7 t30 -55.84 -145.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.738 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.49 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 52.1 p-80 -59.95 -24.72 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 91.7 p -134.14 149.57 51.07 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.479 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.554 ' N ' ' HE3' ' A' ' 85' ' ' LYS . . . -114.54 -33.92 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.44 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.04 -39.58 92.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.016 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -60.32 -46.77 88.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.713 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.523 ' O ' ' HD2' ' A' ' 49' ' ' LYS . 98.1 mttt -64.21 -40.54 96.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 110.661 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' A' ' 73' ' ' HIS . 90.2 t80 -146.47 134.96 22.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.803 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.612 ' O ' ' CD2' ' A' ' 72' ' ' TYR . 54.5 p-80 -67.84 165.11 18.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.225 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -88.24 102.09 14.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.787 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.543 ' HB2' ' NE2' ' A' ' 73' ' ' HIS . 66.1 tp -118.66 123.73 45.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.38 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 76' ' ' GLU . 24.8 pt-20 -67.16 124.92 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.345 . . . . 0.0 110.582 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.623 ' ND2' ' NH2' ' A' ' 79' ' ' ARG . 57.6 t30 -100.96 10.58 40.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.67 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.55 2.44 90.62 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.623 ' NH2' ' ND2' ' A' ' 77' ' ' ASN . 96.0 mtm-85 -132.61 159.37 39.73 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.571 ' CD1' ' O ' ' A' ' 115' ' ' ARG . 3.6 mm? -56.04 141.37 40.33 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.34 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.6 mt -116.44 128.06 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.54 HG21 ' CD1' ' A' ' 117' ' ' ILE . 66.9 t -117.54 124.39 72.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.298 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -101.75 123.13 45.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.167 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.538 ' CG2' ' CD2' ' A' ' 63' ' ' LEU . 86.0 mt -118.86 127.48 75.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.036 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.554 ' HE3' ' N ' ' A' ' 68' ' ' ALA . 49.4 mmtm -102.74 130.61 49.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.469 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -157.13 153.94 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.538 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.456 ' HB2' ' HB2' ' A' ' 90' ' ' ASN . 69.2 m -69.76 150.78 46.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.271 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 68.5 mttm -61.57 -39.72 92.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.53 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.572 ' CD1' ' OD1' ' A' ' 90' ' ' ASN . 3.0 pp -75.41 -20.16 59.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.335 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.572 ' OD1' ' CD1' ' A' ' 89' ' ' LEU . 98.5 m-20 -100.36 11.87 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.494 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.538 ' O ' HG23 ' A' ' 94' ' ' ILE . 90.1 t80 -58.97 -48.67 80.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.576 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 56.7 t -62.17 -45.62 98.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.946 0.403 . . . . 0.0 110.647 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -62.14 -44.4 96.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.547 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 5.8 tp -67.11 -29.71 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.108 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.577 HG23 ' N ' ' A' ' 96' ' ' GLU . 9.3 tp -61.96 -30.53 48.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.288 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.577 ' N ' HG23 ' A' ' 95' ' ' ILE . 98.0 mt-10 -88.31 -53.94 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.889 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.572 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 30.2 m120 -65.66 -42.64 91.15 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.554 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.581 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 17.4 tppt? -65.39 -43.4 90.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.728 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.528 HD11 ' O ' ' A' ' 95' ' ' ILE . 8.2 mp -61.12 -41.5 96.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.181 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.46 -39.62 93.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.335 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.7 mmtp -63.29 -39.13 93.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.12 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.581 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.39 -41.61 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.708 -179.275 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 106' ' ' ILE . 91.4 mt -61.68 -45.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.54 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -62.47 -45.64 92.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.383 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.521 ' O ' ' HG ' ' A' ' 109' ' ' LEU . 22.4 ptmt -65.77 -33.35 75.66 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.505 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.579 ' O ' ' O ' ' A' ' 109' ' ' LEU . 10.7 tt -70.18 -28.44 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.551 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.56 ' N ' HG23 ' A' ' 106' ' ' ILE . 98.3 m-20 -62.47 -39.6 93.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -89.35 -14.6 35.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.259 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.65 ' CD1' ' CE1' ' A' ' 114' ' ' TYR . 1.9 pp -157.0 164.23 38.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.448 ' N ' HD12 ' A' ' 109' ' ' LEU . 68.4 m-20 -104.38 139.81 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.722 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.619 ' CD2' ' CG ' ' A' ' 59' ' ' TYR . 10.6 mp -64.48 -24.59 67.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.342 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -58.75 -37.95 77.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.469 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -63.65 -39.24 93.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.124 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.706 ' CG ' ' SG ' ' A' ' 128' ' ' CYS . 22.3 m-30 -77.34 139.08 39.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.246 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.571 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 69.6 mtp85 -95.7 -37.69 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.527 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.549 ' CD1' ' HA3' ' A' ' 132' ' ' GLY . 96.0 m-85 -129.84 128.55 42.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.962 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.54 ' CD1' HG21 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -135.5 133.85 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.493 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.537 ' O ' ' CD1' ' A' ' 126' ' ' ILE . 55.4 t-20 -148.12 111.71 5.02 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.216 -178.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.541 ' HA ' ' CD1' ' A' ' 126' ' ' ILE . . . -82.82 150.44 26.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.778 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.59 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 53.0 p -118.86 161.86 19.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.884 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 124' ' ' HIS . 63.2 t30 -38.5 150.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.333 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.461 HD13 ' HG3' ' A' ' 123' ' ' GLU . 1.0 OUTLIER -46.22 -35.88 5.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 -179.185 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.461 ' HG3' HD13 ' A' ' 122' ' ' LEU . 98.9 mt-10 -66.4 -34.46 78.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.119 0.485 . . . . 0.0 109.728 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.581 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 98.9 m-70 -87.24 164.12 16.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.755 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.59 ' O ' ' OG1' ' A' ' 120' ' ' THR . 54.3 p30 -97.06 173.97 6.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.541 ' CD1' ' HA ' ' A' ' 119' ' ' ALA . 2.5 tp -107.1 137.42 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.135 0.493 . . . . 0.0 110.453 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -119.42 136.06 54.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.608 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.706 ' SG ' ' CG ' ' A' ' 114' ' ' TYR . 52.6 t -135.8 131.29 35.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.787 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.457 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -108.01 131.82 54.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.127 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.503 ' HB3' ' HD2' ' A' ' 134' ' ' LYS . 86.3 t80 -60.23 -48.68 80.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.803 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.577 ' HE3' ' CZ ' ' A' ' 133' ' ' PHE . 64.6 tttp -105.93 -3.64 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.572 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.549 ' HA3' ' CD1' ' A' ' 116' ' ' PHE . . . 100.68 -17.0 57.16 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.632 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 55.6 p90 -161.63 116.16 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.548 ' NZ ' ' HB2' ' A' ' 131' ' ' LYS . 0.1 OUTLIER 170.75 166.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.833 -179.177 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.6 t -68.76 -20.32 64.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.528 ' O ' ' HD3' ' A' ' 134' ' ' LYS . 64.2 tttm -92.31 118.45 30.92 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.117 0.484 . . . . 0.0 110.957 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -150.64 159.01 44.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.346 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.513 ' HG3' ' OH ' ' A' ' 114' ' ' TYR . 79.3 mm-40 -115.65 141.1 48.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.517 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 140' ' ' ILE . 10.9 p -138.77 142.72 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.592 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 105' ' ' LYS . 87.4 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.56 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.477 ' O ' ' HD2' ' A' ' 5' ' ' LYS . 63.4 tpp . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.82 92.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -62.12 131.69 50.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.721 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.79 -9.73 76.88 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.477 ' HD2' ' O ' ' A' ' 1' ' ' MET . 64.4 mttp -107.14 -22.72 12.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.923 0.392 . . . . 0.0 110.52 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.544 ' HB2' ' ND2' ' A' ' 9' ' ' ASN . 49.9 m 51.39 40.81 27.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.509 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.532 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 30.5 mmm180 56.1 47.59 19.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.354 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.532 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 94.2 m-85 71.59 98.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.299 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.544 ' ND2' ' HB2' ' A' ' 6' ' ' SER . 34.0 m120 -58.97 137.88 57.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.639 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.454 ' OG ' ' CD1' ' A' ' 11' ' ' TYR . 95.5 p -65.1 -23.4 67.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.88 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' CD1' ' OG ' ' A' ' 10' ' ' SER . 98.3 m-85 -114.77 135.34 54.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.926 0.394 . . . . 0.0 110.969 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -159.96 166.29 30.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.149 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.04 130.24 45.66 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.116 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.426 ' HE ' ' HB3' ' A' ' 16' ' ' PHE . 32.2 tpt180 -101.16 119.43 38.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.854 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t -62.56 -44.55 96.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CZ ' ' OG ' ' A' ' 19' ' ' SER . 90.9 t80 -69.39 127.44 33.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.742 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 50.8 p30 175.46 20.09 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -123.05 40.53 3.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.989 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.57 ' OG ' ' CZ ' ' A' ' 16' ' ' PHE . 69.7 m -62.45 141.47 58.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.572 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -126.36 149.55 49.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.764 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 98.3 mttt 59.74 -145.79 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.607 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.497 ' O ' ' HD1' ' A' ' 26' ' ' TYR . 88.9 mt-30 -130.0 149.33 51.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.645 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -60.66 -41.62 95.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.775 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.525 ' C ' ' HD2' ' A' ' 24' ' ' ARG . 8.2 tmm_? -59.78 -40.66 88.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.36 -43.42 96.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.515 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.497 ' HD1' ' O ' ' A' ' 22' ' ' GLN . 82.1 m-85 -65.33 -38.69 90.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.493 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.46 94.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.679 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.21 -40.14 96.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.372 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.561 ' OE2' ' O ' ' A' ' 88' ' ' LYS . 54.1 tp10 -62.26 -42.25 99.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 ttp -60.7 -45.19 95.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.49 -40.14 93.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.384 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -61.28 -43.71 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.395 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.55 -43.77 98.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.467 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.4 -42.18 98.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.478 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.15 -39.72 93.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.307 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.57 -39.34 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.318 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.451 ' HB2' HD13 ' A' ' 45' ' ' LEU . 82.3 t80 -58.64 -47.3 84.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.33 -39.84 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.565 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -90.93 12.57 19.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.654 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.539 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 1.1 mm? -119.0 80.29 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 41' ' ' ASP . 58.7 p30 -67.54 141.6 56.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.376 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.558 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 81.53 6.68 88.99 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.587 ' CD2' ' HB2' ' A' ' 54' ' ' LYS . 92.8 m95 -116.79 143.2 45.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 110.653 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.514 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 68.4 m-85 -130.35 146.85 51.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.844 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 52' ' ' ALA . 90.5 mt -114.49 141.39 47.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.7 p -120.07 133.55 55.49 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.247 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.5 p -68.57 -34.96 76.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.376 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.0 mmt -61.94 -41.01 97.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.001 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.9 mtmt -130.27 38.66 3.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.792 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.8 m-20 1.86 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.609 0.568 . . . . 0.0 111.476 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.633 ' N ' ' O ' ' A' ' 49' ' ' LYS . 71.0 m -130.77 150.16 52.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.897 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -112.82 135.52 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.162 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.573 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 52.6 p90 -147.79 158.16 43.89 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.657 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.587 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 35.4 ttpt -134.39 137.02 43.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.141 0.496 . . . . 0.0 111.082 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 58.8 p30 -95.41 140.85 29.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.837 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 98.0 m-85 -112.66 -7.98 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.263 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.483 ' C ' HH12 ' A' ' 79' ' ' ARG . . . 90.52 -11.46 71.39 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 112' ' ' ASP . 30.7 mtpp -115.62 -30.7 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.006 0.431 . . . . 0.0 110.458 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.66 ' CZ ' HD23 ' A' ' 111' ' ' LEU . 54.1 p90 -154.81 161.44 41.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.501 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 89.0 tt0 -116.11 127.97 55.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.806 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.582 HG22 ' CE1' ' A' ' 59' ' ' TYR . 48.4 pt -127.23 137.52 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.034 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.54 ' CB ' ' HB3' ' A' ' 53' ' ' TYR . 9.1 ptm180 -139.8 155.83 47.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.019 0.438 . . . . 0.0 111.087 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.552 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 7.0 mp -118.17 125.49 50.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.942 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 65' ' ' ASN . 63.0 m -128.37 153.71 46.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.767 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.501 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 21.6 m120 -56.22 -158.82 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.461 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.476 ' HE1' ' OG ' ' A' ' 87' ' ' SER . 75.0 m80 -61.78 -39.49 91.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.353 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.0 p -86.77 93.91 9.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.596 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.552 ' O ' ' HG2' ' A' ' 71' ' ' LYS . . . -105.57 19.26 20.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.115 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.504 ' O ' ' HD2' ' A' ' 72' ' ' TYR . 98.5 m-20 -61.29 -37.6 83.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.448 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.443 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . 98.9 m-20 -81.83 1.72 33.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.257 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.629 ' O ' ' CE1' ' A' ' 73' ' ' HIS . 25.9 pttm -59.65 -20.5 56.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.718 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.504 ' HD2' ' O ' ' A' ' 69' ' ' ASP . 29.5 p90 -65.94 150.14 49.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.009 0.433 . . . . 0.0 110.937 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.629 ' CE1' ' O ' ' A' ' 71' ' ' LYS . 79.2 m80 -137.0 151.76 49.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.175 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.584 ' O ' ' O ' ' A' ' 75' ' ' LEU . 50.1 p30 -81.39 178.43 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.419 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.584 ' O ' ' O ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER 53.89 143.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.516 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.536 ' N ' HD13 ' A' ' 75' ' ' LEU . 24.8 pt-20 -71.37 122.42 20.3 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.311 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.615 ' ND2' ' CG ' ' A' ' 79' ' ' ARG . 62.7 t30 -67.12 -32.38 73.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.461 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.64 -1.8 87.17 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.615 ' CG ' ' ND2' ' A' ' 77' ' ' ASN . 10.3 ptp180 -135.98 161.4 35.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.677 0.275 . . . . 0.0 110.362 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.53 ' CD2' ' HA ' ' A' ' 112' ' ' ASP . 1.3 mm? -68.97 143.22 54.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.395 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.52 ' O ' HD13 ' A' ' 117' ' ' ILE . 87.4 mt -119.07 128.37 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.534 HG22 ' CD1' ' A' ' 117' ' ' ILE . 65.1 t -111.45 122.63 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.111 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.545 ' ND2' ' HD2' ' A' ' 71' ' ' LYS . 83.8 m-20 -108.55 130.12 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.653 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.528 HG22 ' CG ' ' A' ' 98' ' ' LYS . 86.7 mt -121.86 127.94 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.488 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' A' ' 68' ' ' ALA . 64.2 mttp -102.49 129.46 49.01 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.567 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.501 ' O ' ' HA ' ' A' ' 65' ' ' ASN . . . -157.82 154.12 27.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.476 ' OG ' ' HE1' ' A' ' 66' ' ' HIS . 70.8 m -65.72 145.17 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.153 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.561 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 26.1 pttm -60.9 -32.65 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.321 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.452 HD13 ' OE1' ' A' ' 29' ' ' GLU . 61.0 tp -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.178 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -102.19 17.6 22.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.448 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 63' ' ' LEU . 91.0 t80 -58.07 -48.71 79.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.395 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.546 ' O ' ' OE1' ' A' ' 96' ' ' GLU . 57.6 t -62.28 -44.61 99.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.394 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.99 -42.45 98.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 95' ' ' ILE . 3.8 tp -59.54 -29.02 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.126 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.537 ' N ' HG22 ' A' ' 94' ' ' ILE . 88.0 mt -60.72 -45.5 97.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.973 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.546 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 59.9 mp0 -62.64 -46.95 85.84 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.873 -179.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.9 m-20 -71.86 -41.86 67.58 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.535 ' NZ ' ' HB3' ' A' ' 119' ' ' ALA . 2.1 mptp? -68.41 -42.16 79.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.621 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.578 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 1.3 mm? -62.69 -41.86 99.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.02 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.559 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 98.9 m-20 -63.37 -39.84 95.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.739 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 74.5 mmtt -64.29 -39.29 93.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.578 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 44.8 pt -75.34 -37.49 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.987 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 99' ' ' LEU . 89.8 mt -62.16 -47.41 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 0.0 110.614 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.559 ' OE1' ' O ' ' A' ' 100' ' ' ASP . 4.5 mp0 -67.33 -39.38 85.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.773 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.601 ' NZ ' ' SG ' ' A' ' 128' ' ' CYS . 40.9 ttmt -60.41 -45.17 94.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.603 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.557 ' O ' ' O ' ' A' ' 109' ' ' LEU . 77.7 mt -60.86 -42.54 92.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.367 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.02 -41.65 92.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.777 -178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.467 ' HB2' HD11 ' A' ' 109' ' ' LEU . 98.5 mttt -72.95 -38.44 66.75 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.24 0.543 . . . . 0.0 109.731 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.653 ' CD1' ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -156.98 178.19 10.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.018 179.689 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -90.07 129.41 36.37 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.66 HD23 ' CZ ' ' A' ' 59' ' ' TYR . 3.7 pp -72.92 -17.32 61.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.966 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.53 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 98.2 m-20 -64.09 -22.1 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.47 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.284 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.537 ' CZ ' ' OE1' ' A' ' 138' ' ' GLU . 53.1 m-85 -78.83 110.76 14.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.318 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.521 ' HD2' ' O ' ' A' ' 131' ' ' LYS . 62.8 ttm-85 -63.05 -43.07 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.721 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.418 ' C ' HG13 ' A' ' 117' ' ' ILE . 92.0 t80 -121.04 122.37 39.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.406 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.659 ' CG2' ' SG ' ' A' ' 128' ' ' CYS . 0.5 OUTLIER -127.59 131.28 70.24 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.478 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.48 ' HA ' ' O ' ' A' ' 83' ' ' ASN . 66.7 t30 -148.37 113.58 5.54 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.548 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.535 ' HB3' ' NZ ' ' A' ' 98' ' ' LYS . . . -83.0 156.29 23.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.587 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 53.1 p -124.99 161.14 27.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.066 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.554 ' O ' ' O ' ' A' ' 120' ' ' THR . 25.3 m120 -39.29 169.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.485 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.68 -39.45 88.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.235 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.579 ' HG3' ' CD2' ' A' ' 124' ' ' HIS . 25.1 pt-20 -67.39 -14.34 62.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.934 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.579 ' CD2' ' HG3' ' A' ' 123' ' ' GLU . 98.9 m-70 -112.82 158.98 19.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.686 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.587 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.3 m-20 -98.69 170.49 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.684 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.481 HG13 ' HA ' ' A' ' 119' ' ' ALA . 16.9 tt -108.09 133.96 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 110.431 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -120.32 139.08 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.579 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.659 ' SG ' ' CG2' ' A' ' 117' ' ' ILE . 75.5 m -125.75 149.1 48.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.703 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 114' ' ' TYR . 98.3 m-85 -117.54 137.05 52.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.131 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.605 ' CE2' ' HE3' ' A' ' 131' ' ' LYS . 62.3 t80 -60.89 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.605 ' HE3' ' CE2' ' A' ' 130' ' ' TYR . 34.9 mmtp -116.07 12.22 15.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.491 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.494 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.33 -13.37 67.37 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.512 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 83.0 t80 -162.53 116.79 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.537 ' NZ ' ' NZ ' ' A' ' 136' ' ' LYS . 6.8 mtpp 171.65 166.5 0.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.698 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.533 HG23 ' N ' ' A' ' 136' ' ' LYS . 12.7 t -67.31 -25.23 65.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.579 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.537 ' NZ ' ' NZ ' ' A' ' 134' ' ' LYS . 39.2 mtmm -81.77 126.62 32.05 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.127 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -151.33 158.62 44.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.782 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.537 ' OE1' ' CZ ' ' A' ' 114' ' ' TYR . 88.8 tt0 -117.23 129.42 55.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.207 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 10.0 p -136.3 140.91 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.689 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.613 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.59 138.57 44.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.525 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.562 ' O ' ' OG ' ' A' ' 6' ' ' SER . 91.4 m-85 54.85 25.9 7.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.781 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.56 -46.56 94.18 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -66.93 -39.89 87.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.306 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.59 ' O ' ' N ' ' A' ' 8' ' ' TYR . 51.2 m 47.66 39.62 10.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.137 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 59.87 -72.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.927 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.59 ' N ' ' O ' ' A' ' 6' ' ' SER . 94.2 t80 -129.77 88.4 2.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.171 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.587 ' O ' ' CB ' ' A' ' 10' ' ' SER . 61.1 t-20 -62.18 -44.61 96.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.587 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 2.9 m 154.31 107.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.555 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 58.42 28.74 17.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.949 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' NH2' ' NE2' ' A' ' 124' ' ' HIS . 41.7 mmt180 56.6 62.01 2.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.462 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HE2' ' O ' ' A' ' 10' ' ' SER . 75.8 mmtt -60.98 147.1 44.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.86 0.362 . . . . 0.0 110.401 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.12 133.33 55.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 94.3 p -100.02 -122.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.468 ' HD1' ' O ' ' A' ' 17' ' ' ASN . 53.6 p90 -148.84 160.76 42.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 0.0 110.742 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.468 ' O ' ' HD1' ' A' ' 16' ' ' PHE . 87.2 m-20 -83.77 160.9 21.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.703 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -144.97 160.58 41.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.551 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.439 ' HA ' HE21 ' A' ' 22' ' ' GLN . 52.1 m 57.29 32.33 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.435 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -61.9 -41.48 97.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.605 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -78.24 -12.83 60.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.532 ' HB3' ' CG ' ' A' ' 25' ' ' GLU . 1.8 mp0 -81.73 60.05 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.942 0.401 . . . . 0.0 110.609 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -61.44 -42.73 99.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.763 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -60.55 -25.43 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.733 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.532 ' CG ' ' HB3' ' A' ' 22' ' ' GLN . 78.6 mm-40 -62.61 -40.31 96.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.408 . . . . 0.0 110.458 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -67.44 -38.77 85.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.844 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.8 98.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.892 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' A' ' 25' ' ' GLU . 20.2 pt20 -73.6 -25.43 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.438 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.521 ' OE2' ' C ' ' A' ' 88' ' ' LYS . 54.4 tp10 -62.27 -42.55 99.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.322 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -62.64 -40.4 96.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.482 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.83 -40.4 95.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.321 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.645 ' CZ ' ' O ' ' A' ' 89' ' ' LEU . 79.8 ttt180 -61.61 -43.76 98.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.341 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.93 -39.16 93.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.537 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -61.85 -39.95 93.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.001 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.578 ' O ' ' CD2' ' A' ' 40' ' ' LEU . . . -61.66 -39.1 90.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.28 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 79.3 t80 -58.22 -47.48 83.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.47 -37.92 82.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.791 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.72 7.99 44.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.362 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.578 ' CD2' ' O ' ' A' ' 36' ' ' ALA . 2.1 mm? -111.74 93.58 4.53 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.849 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.9 t0 -67.52 130.7 43.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.802 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.1 17.86 70.97 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.935 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.594 ' CZ2' ' HD2' ' A' ' 54' ' ' LYS . 93.1 m95 -118.25 142.0 47.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.798 0.333 . . . . 0.0 110.755 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 81.1 m-85 -134.22 145.65 49.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 HD21 ' HA ' ' A' ' 52' ' ' ALA . 92.6 mt -118.7 139.65 51.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.615 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 40.1 t -120.22 128.52 53.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.408 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.0 p -67.12 -37.35 83.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 63.5 mtt -62.95 -40.58 98.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.631 ' O ' ' C ' ' A' ' 50' ' ' ASP . 99.4 mttt -122.17 38.76 4.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.579 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.631 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.5 m-20 -5.21 75.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.57 0.544 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.4 t -149.63 150.27 31.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.859 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -108.64 138.27 45.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.345 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.2 p90 -149.99 163.47 38.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.51 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.646 ' CE ' ' CE1' ' A' ' 56' ' ' PHE . 22.0 ptmt -132.49 147.98 52.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -114.89 106.26 13.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.341 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.646 ' CE1' ' CE ' ' A' ' 54' ' ' LYS . 1.4 m-85 -92.51 -9.83 39.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 0.0 110.392 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.63 -9.73 76.77 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -113.46 -31.08 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.463 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.586 ' CE2' HD13 ' A' ' 111' ' ' LEU . 54.2 p90 -154.81 160.92 41.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.603 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.569 ' OE2' ' CD1' ' A' ' 53' ' ' TYR . 51.5 tp10 -121.48 128.23 51.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.615 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.542 HD11 ' CD1' ' A' ' 102' ' ' ILE . 47.3 pt -130.8 137.18 56.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.482 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.661 ' CZ ' ' OD1' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -139.48 157.09 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.103 0.477 . . . . 0.0 110.949 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.616 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 2.3 mp -112.21 146.94 37.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.863 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.534 ' HB2' ' CD ' ' A' ' 71' ' ' LYS . 99.5 p -142.83 162.78 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.789 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.467 ' HB2' ' HE3' ' A' ' 71' ' ' LYS . 98.8 m-20 -56.27 -159.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.594 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.575 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 86.6 t60 -58.81 -46.51 87.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.308 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.5 p -111.03 136.45 50.03 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.14 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.634 ' O ' ' CD1' ' A' ' 72' ' ' TYR . . . -115.03 23.02 12.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.807 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.481 ' HA ' ' CE1' ' A' ' 72' ' ' TYR . 98.4 m-20 -60.12 -41.52 92.82 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.843 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -102.43 2.83 37.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.857 0.36 . . . . 0.0 110.332 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' CD ' ' HB2' ' A' ' 64' ' ' SER . 68.9 mttm -102.53 3.55 37.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.438 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 68' ' ' ALA . 51.8 m-85 -70.24 145.49 51.31 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.499 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -105.61 117.61 34.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.515 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.539 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 50.7 p30 -83.36 -176.96 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.709 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.539 ' HB3' ' O ' ' A' ' 74' ' ' ASP . 57.3 tp 74.16 153.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.676 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.473 ' HG3' ' H ' ' A' ' 78' ' ' GLY . 51.4 tp10 -108.02 126.3 52.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.615 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -99.38 3.3 45.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.487 ' C ' ' HD2' ' A' ' 79' ' ' ARG . . . 82.03 2.68 90.63 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.487 ' HD2' ' C ' ' A' ' 78' ' ' GLY . 12.4 mpt_? -118.91 153.24 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.725 0.298 . . . . 0.0 110.447 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.579 ' CD1' ' O ' ' A' ' 114' ' ' TYR . 3.7 mm? -56.64 149.82 16.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.414 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.402 HG23 HD12 ' A' ' 81' ' ' ILE . 49.7 mm -106.99 123.59 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 117' ' ' ILE . 49.1 t -124.3 124.84 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.712 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.661 ' OD1' ' CZ ' ' A' ' 62' ' ' ARG . 98.3 m-20 -106.16 124.28 49.34 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.705 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 86.4 mt -119.1 127.87 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.451 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.575 ' CE ' ' O ' ' A' ' 66' ' ' HIS . 59.8 mtpt -101.86 126.5 48.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.749 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.531 ' CB ' HG23 ' A' ' 94' ' ' ILE . . . -162.37 150.79 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.4 m -73.72 148.61 42.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.587 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.521 ' C ' ' OE2' ' A' ' 29' ' ' GLU . 68.4 mttm -62.19 -39.59 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.834 0.349 . . . . 0.0 110.332 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.645 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 7.6 mp -62.55 -38.74 91.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.899 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -99.49 16.18 24.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.484 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 52' ' ' ALA . 87.3 t80 -58.6 -48.14 81.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.72 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.554 ' O ' HG12 ' A' ' 95' ' ' ILE . 66.8 t -61.44 -46.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.203 0.525 . . . . 0.0 110.44 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.31 -40.22 95.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.816 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 91' ' ' PHE . 5.5 tp -70.46 -38.63 74.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.451 -178.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.58 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 47.3 pt -67.26 -31.6 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.619 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 98.8 mt-10 -65.49 -41.46 93.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 64.7 t30 -84.45 -46.26 11.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.414 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.599 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 14.4 mptt -64.83 -40.61 95.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.977 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.58 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 10.2 tt -59.96 -44.13 94.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.973 0.416 . . . . 0.0 109.999 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.99 -39.26 91.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.461 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.577 ' O ' ' CG ' ' A' ' 105' ' ' LYS . 75.6 mmtt -62.54 -38.84 91.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.114 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.599 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -76.0 -45.43 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.648 -179.195 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.528 ' O ' HG22 ' A' ' 106' ' ' ILE . 33.4 mm -62.46 -47.29 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.718 0.294 . . . . 0.0 111.167 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 88.8 tt0 -67.0 -43.92 81.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 110.832 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.577 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 47.0 mmtm -64.54 -40.08 94.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.385 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.568 HG21 ' N ' ' A' ' 107' ' ' ASP . 18.7 tt -63.5 -30.92 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.628 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.568 ' N ' HG21 ' A' ' 106' ' ' ILE . 67.5 t0 -63.15 -45.07 93.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.4 ' NZ ' ' HG2' ' A' ' 104' ' ' GLU . 38.2 mtmm -73.27 -37.8 66.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.126 0.488 . . . . 0.0 110.242 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 1.2 pp -148.52 132.2 16.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.385 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.56 140.12 58.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.929 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.586 HD13 ' CE2' ' A' ' 59' ' ' TYR . 88.3 mt -63.6 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.361 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.533 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 64.6 t0 -51.76 -17.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.186 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -64.63 -38.18 90.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.868 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.579 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 32.0 m-85 -86.64 122.79 31.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.15 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.544 ' HB2' ' N ' ' A' ' 132' ' ' GLY . 56.6 mmm-85 -63.58 -39.53 94.63 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.355 -0.538 . . . . 0.0 109.633 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -150.26 122.89 8.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.193 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.569 ' CD1' HG21 ' A' ' 82' ' ' VAL . 33.3 pt -125.85 149.95 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.552 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 51.0 t30 -145.94 112.17 5.77 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.614 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.497 ' HA ' HG12 ' A' ' 126' ' ' ILE . . . -83.16 153.17 24.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.93 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.589 ' O ' ' O ' ' A' ' 121' ' ' ASN . 72.1 p -127.82 161.92 27.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.53 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.589 ' O ' ' O ' ' A' ' 120' ' ' THR . 23.4 m120 -39.14 171.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.744 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.535 HD22 ' NZ ' ' A' ' 98' ' ' LYS . 90.9 mt -60.34 -40.4 90.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.434 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.62 -35.7 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.942 0.401 . . . . 0.0 110.02 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.553 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 64.8 m170 -82.13 157.83 23.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.56 ' O ' ' OG1' ' A' ' 120' ' ' THR . 54.3 p30 -97.89 173.92 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.066 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 139' ' ' VAL . 62.9 mt -107.59 128.97 62.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.174 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -141.82 136.07 30.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.248 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.537 ' CB ' HG21 ' A' ' 117' ' ' ILE . 31.2 p -137.81 171.87 13.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.462 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.5 m-85 -111.11 135.96 50.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.212 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.79 -48.69 80.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.456 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.534 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 16.7 ptpt -113.84 11.1 17.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.353 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.544 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 95.54 -17.21 59.73 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.52 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 81.6 t80 -162.35 116.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.543 ' HG3' ' N ' ' A' ' 135' ' ' THR . 29.6 tptp 174.29 159.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.381 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.543 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 11.4 t -68.01 -9.51 46.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.429 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 35.2 mmtp -98.67 131.48 44.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 26.4 pttm -150.47 158.61 44.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.374 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.547 ' OE1' ' OH ' ' A' ' 114' ' ' TYR . 88.7 tt0 -116.69 124.55 49.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.313 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 90.8 t -124.35 128.73 73.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.687 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.524 ' CD1' ' HE3' ' A' ' 105' ' ' LYS . 90.1 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.576 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.509 ' HG2' ' O ' ' A' ' 1' ' ' MET . 60.7 ttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.456 ' HB3' ' HG3' ' A' ' 5' ' ' LYS . . . -63.99 142.75 58.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.502 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -119.61 125.84 49.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.81 1.26 90.17 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HE2' ' ND2' ' A' ' 9' ' ' ASN . 10.9 ptmm? -151.01 35.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.572 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m -62.34 -39.84 94.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.236 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -81.73 -99.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.939 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.585 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 98.5 m-85 -109.84 12.24 24.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.947 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.554 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 48.4 t-20 57.14 39.62 28.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.283 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.5 p -70.0 -19.69 63.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.65 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -59.75 -48.22 82.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.609 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.478 ' NH1' ' HD2' ' A' ' 5' ' ' LYS . 83.5 mtt85 -76.01 -117.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.585 ' NZ ' ' O ' ' A' ' 8' ' ' TYR . 64.4 mttp 54.22 40.66 31.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.824 0.345 . . . . 0.0 110.499 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.547 ' O ' ' O ' ' A' ' 13' ' ' LYS . 83.7 mtt85 40.06 -171.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.722 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.7 p -156.31 161.94 40.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.354 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -133.75 126.02 29.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.749 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -146.3 103.84 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.501 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.53 HH11 ' N ' ' A' ' 19' ' ' SER . 53.3 tpt85 -136.94 130.07 31.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.976 0.417 . . . . 0.0 110.62 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.53 ' N ' HH11 ' A' ' 18' ' ' ARG . 6.5 t 67.55 86.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.732 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' A' ' 25' ' ' GLU . 29.1 t-20 -84.38 111.47 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 59.7 mtpt 59.12 46.5 13.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.6 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 21' ' ' LYS . 7.5 mm100 70.23 163.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.724 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -64.21 -25.84 68.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.698 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -60.36 -47.05 87.7 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.408 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.562 ' OE2' ' CG ' ' A' ' 29' ' ' GLU . 16.4 tm-20 -64.24 -41.57 96.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.268 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -60.2 -48.73 80.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.32 94.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.535 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.32 -40.64 96.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.484 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.562 ' CG ' ' OE2' ' A' ' 25' ' ' GLU . 78.2 mm-40 -62.66 -39.33 93.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.528 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.2 -46.76 88.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.31 -40.35 96.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.095 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.467 ' NH2' ' HB ' ' A' ' 92' ' ' VAL . 4.5 tmt_? -61.62 -43.91 97.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.357 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' CD1' HD11 ' A' ' 45' ' ' LEU . 61.5 tp -61.6 -43.98 97.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.216 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -62.67 -38.56 90.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.251 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.609 ' NZ ' ' ND2' ' A' ' 39' ' ' ASN . 29.6 tptp -59.68 -42.31 92.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.999 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 40' ' ' LEU . . . -60.69 -39.03 87.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.204 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' A' ' 44' ' ' TYR . 62.2 t80 -57.47 -47.0 83.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.98 -39.8 82.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.994 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.609 ' ND2' ' NZ ' ' A' ' 35' ' ' LYS . 98.5 m-20 -98.22 9.72 42.29 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.596 ' CD2' ' O ' ' A' ' 36' ' ' ALA . 3.4 mm? -113.12 84.77 2.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.7 t0 -67.05 132.86 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.766 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.635 ' O ' ' CE3' ' A' ' 43' ' ' TRP . . . 92.75 -5.23 76.5 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.657 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.635 ' CE3' ' O ' ' A' ' 42' ' ' GLY . 8.9 m95 -119.57 148.33 43.44 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.561 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 61.7 m-85 -134.06 148.12 51.0 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.211 -178.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.537 HD11 ' CD1' ' A' ' 33' ' ' LEU . 87.0 mt -137.06 132.61 34.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.45 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.9 m -112.82 127.94 56.31 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.495 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.9 t -66.4 -45.23 80.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.474 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.465 ' HG3' ' HG3' ' A' ' 49' ' ' LYS . 27.3 ptt? -68.52 -29.85 68.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.454 -179.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.63 ' O ' ' N ' ' A' ' 51' ' ' SER . 62.0 mtpt -118.69 39.5 3.48 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.809 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.8 p30 -8.18 76.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.612 0.57 . . . . 0.0 111.037 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.6 t -154.51 154.35 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.367 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.537 ' HB2' ' CD2' ' A' ' 63' ' ' LEU . . . -107.67 130.52 54.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.1 0.476 . . . . 0.0 110.595 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.612 ' CE1' ' NH2' ' A' ' 62' ' ' ARG . 0.5 OUTLIER -107.43 137.64 45.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.25 -179.622 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HE3' ' CZ3' ' A' ' 43' ' ' TRP . 58.3 mtpt -127.03 127.48 44.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.647 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -114.39 121.63 44.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.604 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 97.8 m-85 -113.02 -16.01 12.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.992 0.425 . . . . 0.0 110.401 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.37 -11.36 70.05 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HE2' ' OD2' ' A' ' 110' ' ' ASP . 60.6 mtpt -115.62 -29.51 6.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.005 0.431 . . . . 0.0 110.225 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.604 ' CE1' ' CD1' ' A' ' 56' ' ' PHE . 53.7 p90 -154.95 161.43 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.376 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.577 ' OE1' ' CD1' ' A' ' 81' ' ' ILE . 16.5 tm-20 -117.58 123.25 45.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.581 HG23 ' CE1' ' A' ' 59' ' ' TYR . 48.7 pt -132.18 138.42 52.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.041 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.612 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 19.7 ptp180 -136.9 159.07 42.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.359 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.593 ' CB ' ' O ' ' A' ' 84' ' ' ILE . 0.4 OUTLIER -121.16 140.8 51.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.602 -179.814 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.507 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 49.9 m -127.08 168.21 14.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.122 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' CG ' ' H ' ' A' ' 66' ' ' HIS . 54.5 t30 -54.83 -173.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.425 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 62.7 m170 -60.8 -39.68 89.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.7 m -71.65 146.12 48.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.224 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.02 23.82 13.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.448 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.471 ' O ' ' HD1' ' A' ' 72' ' ' TYR . 98.6 m-20 -60.49 -38.26 83.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.156 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.467 ' C ' ' H ' ' A' ' 72' ' ' TYR . 34.3 m120 -88.39 1.6 54.37 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.878 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.603 ' NZ ' ' CB ' ' A' ' 83' ' ' ASN . 1.8 tmtp? -72.52 43.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.803 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.471 ' HD1' ' O ' ' A' ' 69' ' ' ASP . 95.4 m-85 -131.01 143.53 50.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.446 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.552 ' HE1' ' CZ ' ' A' ' 62' ' ' ARG . 96.8 m-70 -127.12 126.78 43.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.52 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -62.67 -45.57 92.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.688 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.4 tp -133.57 129.88 37.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -68.38 143.98 54.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.223 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -91.04 1.25 57.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.946 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.81 18.81 79.67 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -129.15 155.97 44.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 110.473 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.602 ' CD2' ' N ' ' A' ' 81' ' ' ILE . 3.3 tt -56.21 136.46 52.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.203 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.602 ' N ' ' CD2' ' A' ' 80' ' ' LEU . 11.1 tp -117.08 128.09 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.467 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.603 ' CG2' ' CG1' ' A' ' 117' ' ' ILE . 53.1 t -126.4 124.59 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.293 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.603 ' CB ' ' NZ ' ' A' ' 71' ' ' LYS . 50.1 t30 -100.64 111.64 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.541 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.593 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 82.4 mt -113.05 122.88 68.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.321 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 64' ' ' SER . 64.3 mttp -77.16 136.33 38.58 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.092 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.472 ' HB3' HG22 ' A' ' 94' ' ' ILE . . . -154.43 160.02 41.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.001 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.3 t -119.32 141.96 48.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.052 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.498 ' CD ' ' HB3' ' A' ' 29' ' ' GLU . 9.4 ptpp? -57.07 -28.47 62.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.343 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.518 HD22 ' CD ' ' A' ' 29' ' ' GLU . 86.3 mt -64.38 -39.64 94.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.211 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -120.04 30.05 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.732 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.528 ' O ' HG21 ' A' ' 94' ' ' ILE . 85.9 t80 -58.64 -49.47 77.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.777 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.551 ' O ' HG12 ' A' ' 95' ' ' ILE . 64.6 t -65.61 -43.01 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 110.735 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -63.15 -42.57 99.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.207 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.528 HG21 ' O ' ' A' ' 91' ' ' PHE . 9.9 tt -62.55 -38.23 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.471 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.591 ' O ' ' CG ' ' A' ' 99' ' ' LEU . 42.6 pt -74.11 -25.0 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.548 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.56 -46.41 90.02 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.601 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.529 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.7 m-20 -89.85 -36.7 14.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.114 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.568 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 74.8 mmtt -65.55 -40.06 92.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.085 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.591 ' CG ' ' O ' ' A' ' 95' ' ' ILE . 83.0 mt -63.27 -40.62 97.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.837 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.15 -39.52 92.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.402 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.9 mmtt -62.73 -38.83 92.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.816 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -76.99 -42.96 32.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.674 -179.275 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.552 ' O ' ' CG2' ' A' ' 106' ' ' ILE . 34.1 mm -61.76 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.31 -43.08 95.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.045 0.45 . . . . 0.0 110.407 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 109' ' ' LEU . 62.2 mtpt -62.88 -39.65 95.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.568 HG23 ' N ' ' A' ' 107' ' ' ASP . 16.9 tt -62.64 -27.1 42.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.568 ' N ' HG23 ' A' ' 106' ' ' ILE . 66.2 t0 -66.4 -42.88 87.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.458 ' HG3' ' HG ' ' A' ' 109' ' ' LEU . 8.0 ptpp? -89.52 -34.79 16.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.793 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 105' ' ' LYS . 3.7 pp -156.47 147.14 21.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.442 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.562 ' CG ' ' CG ' ' A' ' 112' ' ' ASP . 66.0 t0 -84.07 109.97 18.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.903 0.382 . . . . 0.0 110.473 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.601 ' O ' ' CD1' ' A' ' 80' ' ' LEU . 1.1 pp -45.13 -14.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.055 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.562 ' CG ' ' CG ' ' A' ' 110' ' ' ASP . 56.7 p-10 -65.28 -14.29 60.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.908 0.385 . . . . 0.0 110.333 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 98.1 mttt -64.9 -38.55 91.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.256 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.712 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 26.1 m-85 -75.61 123.76 26.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.169 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.482 ' HB2' ' HA ' ' A' ' 131' ' ' LYS . 99.4 mtt180 -63.47 -39.47 94.53 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.179 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.437 ' HE1' ' HE2' ' A' ' 71' ' ' LYS . 92.3 t80 -146.61 120.05 9.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 111.406 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.661 ' CG2' ' SG ' ' A' ' 128' ' ' CYS . 40.4 pt -130.91 150.82 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.581 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 48.3 t-20 -143.81 111.73 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.96 -178.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.522 ' CB ' HG12 ' A' ' 84' ' ' ILE . . . -83.84 156.06 22.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.318 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.611 ' CG2' ' CB ' ' A' ' 124' ' ' HIS . 5.2 m -122.65 161.24 24.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.521 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.553 ' O ' ' O ' ' A' ' 120' ' ' THR . 85.1 m-20 -38.04 167.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.94 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.469 HD23 ' HB2' ' A' ' 97' ' ' ASN . 92.0 mt -60.86 -40.32 92.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.991 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.16 -34.4 77.96 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.611 ' CB ' ' CG2' ' A' ' 120' ' ' THR . 80.6 m80 -82.81 165.92 19.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.388 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.38 169.14 10.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.25 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 139' ' ' VAL . 16.1 tt -108.93 137.42 41.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 111.123 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -121.53 147.4 45.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.565 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.712 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 53.4 t -134.64 127.06 30.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.666 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.452 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.2 m-85 -110.96 132.06 54.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.375 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -59.81 -49.37 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.594 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 115' ' ' ARG . 3.3 ptmm? -118.04 8.49 12.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.06 0.457 . . . . 0.0 110.204 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.452 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 97.35 -21.68 44.85 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 109.646 -1.381 . . . . 0.0 109.646 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 93.0 m-85 -149.55 115.82 5.77 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 39.5 ttmt 174.77 159.49 0.18 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.924 0.393 . . . . 0.0 110.668 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.447 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 77.5 p -69.17 -20.56 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.999 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -90.55 118.46 30.02 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 14.7 ptmm? -151.1 159.02 44.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 128' ' ' CYS . 79.7 mm-40 -114.42 140.68 48.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.094 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 126' ' ' ILE . 11.0 p -136.01 142.38 39.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.876 0.37 . . . . 0.0 110.795 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.48 ' CG2' ' O ' ' A' ' 140' ' ' ILE . 89.2 mt . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.552 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.614 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 65.3 mtt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.08 94.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 1' ' ' MET . 81.1 m-85 47.49 -151.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.32 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.68 -9.75 76.74 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -106.38 -26.38 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.241 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.5 m 50.68 41.96 26.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.748 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.589 ' O ' ' CB ' ' A' ' 8' ' ' TYR . 12.6 mpt_? 52.14 48.44 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.052 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.589 ' CB ' ' O ' ' A' ' 7' ' ' ARG . 48.9 t80 94.34 -87.31 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.933 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.583 ' OD1' ' O ' ' A' ' 11' ' ' TYR . 27.2 t-20 -149.27 104.5 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.3 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -61.32 -41.83 97.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.809 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.583 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 96.8 m-85 -67.54 152.85 44.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.674 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.573 ' HB3' ' O ' ' A' ' 11' ' ' TYR . 23.7 tpp180 77.74 73.54 0.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.887 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 16' ' ' PHE . 58.1 mtmt -126.67 146.6 50.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.213 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 14' ' ' ARG . 2.5 mpt_? -61.95 -40.2 94.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.771 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.6 p -162.22 -92.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.671 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 13' ' ' LYS . 93.5 m-85 57.97 30.51 19.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.522 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 17' ' ' ASN . 53.7 p30 -90.67 5.24 48.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.515 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -63.01 -39.49 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.506 ' OG ' ' HB2' ' A' ' 23' ' ' ARG . 39.5 t -64.1 138.84 58.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.797 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -146.8 -77.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.436 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -117.1 -24.11 7.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.497 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 26.5 pt20 -66.37 -19.36 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.668 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.506 ' HB2' ' OG ' ' A' ' 19' ' ' SER . 7.9 tmm_? -60.15 -41.85 93.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.608 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.568 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 17.2 tpt180 -59.9 -42.51 93.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.544 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.515 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 54.4 tp10 -60.39 -41.37 93.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CD1' ' O ' ' A' ' 22' ' ' GLN . 71.0 m-85 -67.66 -28.5 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.38 89.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.682 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.568 ' OE1' ' O ' ' A' ' 24' ' ' ARG . 26.5 mp0 -63.66 -39.82 95.31 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.17 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.548 ' HG2' ' NH2' ' A' ' 32' ' ' ARG . 98.2 mt-10 -62.72 -39.81 95.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.454 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.5 mtt -63.14 -40.67 98.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 98.4 m-20 -61.79 -41.87 98.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.965 0.412 . . . . 0.0 110.528 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.548 ' NH2' ' HG2' ' A' ' 29' ' ' GLU . 47.6 mtm105 -68.14 -39.15 82.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 86.5 mt -63.03 -42.08 99.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.435 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.5 pt-20 -68.71 -38.17 80.03 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.097 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 87.8 tttt -62.46 -45.46 92.96 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.579 ' O ' ' OD1' ' A' ' 39' ' ' ASN . . . -62.88 -38.68 91.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.425 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.499 ' HD1' ' CD1' ' A' ' 45' ' ' LEU . 93.3 t80 -58.49 -46.04 87.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.72 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.96 -41.19 95.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.004 0.43 . . . . 0.0 110.118 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.579 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 38.7 p30 -95.18 12.2 29.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.519 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 36' ' ' ALA . 1.1 mt -104.62 68.79 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.37 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.497 ' O ' ' NZ ' ' A' ' 54' ' ' LYS . 99.0 m-20 -65.08 136.55 56.87 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.073 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.549 ' HA3' ' NZ ' ' A' ' 54' ' ' LYS . . . 81.29 -0.97 86.87 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.406 -0.677 . . . . 0.0 111.406 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.603 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 96.9 m95 -119.46 139.88 51.34 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.251 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.573 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 81.8 m-85 -134.09 137.83 44.87 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.557 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.585 HD21 ' CZ ' ' A' ' 91' ' ' PHE . 3.1 mp -122.65 145.18 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.987 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.511 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.8 p -119.77 132.95 55.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.369 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -66.12 -39.55 90.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.307 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.461 ' HG3' ' HD3' ' A' ' 49' ' ' LYS . 18.1 tpt -60.02 -45.36 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.209 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.616 ' O ' ' C ' ' A' ' 50' ' ' ASP . 3.4 mptp? -123.48 39.18 4.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.616 ' C ' ' O ' ' A' ' 49' ' ' LYS . 28.4 t0 0.81 67.72 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.61 0.569 . . . . 0.0 111.535 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 49' ' ' LYS . 70.6 m -129.95 148.94 51.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.719 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -124.94 147.32 48.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.585 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 44' ' ' TYR . 53.5 p90 -147.81 160.05 43.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.031 0.443 . . . . 0.0 111.101 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.603 ' HE2' ' CE2' ' A' ' 43' ' ' TRP . 15.3 tppt? -124.23 125.53 44.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.507 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -100.75 101.21 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.712 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.462 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 1.8 m-85 -98.51 -15.94 19.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.384 . . . . 0.0 110.575 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.33 -10.01 75.67 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.561 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 62.2 mtpt -115.23 -33.74 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.192 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.541 ' CG ' HD11 ' A' ' 111' ' ' LEU . 53.7 p90 -152.86 161.49 42.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.381 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -121.98 128.75 51.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.551 ' CG1' ' HB3' ' A' ' 54' ' ' LYS . 47.3 pt -127.95 137.23 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.947 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 20.7 ptp180 -140.18 159.16 42.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.11 0.481 . . . . 0.0 111.432 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.548 ' CD2' ' NZ ' ' A' ' 98' ' ' LYS . 90.5 mt -109.25 147.28 32.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.371 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.4 p -148.14 162.19 39.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.983 0.421 . . . . 0.0 110.653 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -64.36 -177.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.639 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -59.2 -46.56 88.11 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.8 t -64.1 139.0 58.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.915 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.479 ' HB3' ' NZ ' ' A' ' 85' ' ' LYS . . . -99.91 22.95 10.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.019 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.605 ' OD1' ' N ' ' A' ' 70' ' ' ASN . 50.9 p-10 -60.24 -36.91 78.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.693 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.605 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 56.4 t30 -104.0 2.68 32.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.367 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.498 ' HE2' ' CB ' ' A' ' 83' ' ' ASN . 63.9 tttm -61.27 -43.27 99.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.002 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -90.85 151.37 21.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.404 . . . . 0.0 110.968 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.636 ' CE1' ' O ' ' A' ' 75' ' ' LEU . 31.7 p80 -142.72 159.07 42.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.6 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -98.82 1.21 45.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.069 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.636 ' O ' ' CE1' ' A' ' 73' ' ' HIS . 3.7 mm? -103.92 132.35 50.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.951 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -116.96 138.85 51.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.376 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.561 ' OD1' ' O ' ' A' ' 77' ' ' ASN . 54.0 t-20 -99.77 0.04 40.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.76 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.557 ' O ' ' NE ' ' A' ' 79' ' ' ARG . . . 80.95 3.67 90.59 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.557 ' NE ' ' O ' ' A' ' 78' ' ' GLY . 6.1 mmp_? -120.06 161.02 21.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.451 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.59 ' CD1' ' O ' ' A' ' 114' ' ' TYR . 0.6 OUTLIER -55.61 142.66 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.528 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.592 HD11 ' CE1' ' A' ' 73' ' ' HIS . 88.1 mt -117.22 128.87 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.943 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' A' ' 117' ' ' ILE . 48.7 t -118.68 121.22 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.733 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.574 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 33.3 m120 -105.73 121.49 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.061 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.599 ' CG1' ' CB ' ' A' ' 119' ' ' ALA . 3.9 mp -123.67 128.01 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.148 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.479 ' NZ ' ' HB3' ' A' ' 68' ' ' ALA . 99.4 mttt -97.67 132.06 43.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.133 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.474 ' HB1' HG12 ' A' ' 94' ' ' ILE . . . -154.53 151.52 28.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.365 . . . . 0.0 110.84 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.58 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 40.7 t -67.26 144.53 55.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.683 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HE3' ' OD2' ' A' ' 50' ' ' ASP . 62.6 mtpt -61.21 -39.13 89.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.211 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.543 HD23 ' NH2' ' A' ' 32' ' ' ARG . 89.2 mt -62.59 -39.02 92.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.706 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.58 ' OD1' ' O ' ' A' ' 87' ' ' SER . 53.3 p30 -99.55 23.76 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.556 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.585 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 87.7 t80 -58.43 -48.81 79.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.81 -43.34 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.132 0.491 . . . . 0.0 110.228 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -60.7 -40.81 93.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.023 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.559 HG21 ' N ' ' A' ' 95' ' ' ILE . 7.4 tp -58.14 -29.48 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.453 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.581 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 31.9 mm -62.25 -46.18 97.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.652 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.92 -42.84 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.976 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.562 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 64.9 t30 -75.08 -50.97 14.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.732 0.301 . . . . 0.0 111.736 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.578 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 39.2 ttpt -64.17 -43.05 96.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.978 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.581 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 10.4 tt -59.15 -42.67 91.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.102 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.82 -38.86 89.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.617 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 50.6 mmtm -62.56 -39.32 93.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.259 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.578 ' CD1' ' O ' ' A' ' 98' ' ' LYS . 0.2 OUTLIER -71.58 -39.07 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.857 -178.449 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.522 ' CD1' HD22 ' A' ' 99' ' ' LEU . 89.5 mt -61.34 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.71 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.529 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 88.8 tt0 -65.07 -43.08 93.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 110.533 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.561 ' O ' ' O ' ' A' ' 109' ' ' LEU . 62.8 mttp -63.25 -41.37 99.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.085 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.55 HG22 ' N ' ' A' ' 107' ' ' ASP . 18.3 tt -70.2 -29.81 41.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.639 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.55 ' N ' HG22 ' A' ' 106' ' ' ILE . 37.2 t70 -61.5 -43.79 98.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.496 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.529 ' NZ ' ' HG2' ' A' ' 104' ' ' GLU . 38.4 mtmm -92.39 -29.46 16.3 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.226 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.668 HD13 ' CZ ' ' A' ' 114' ' ' TYR . 3.0 pp -156.74 144.16 19.0 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.28 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.73 144.72 50.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.042 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.541 HD11 ' CG ' ' A' ' 59' ' ' TYR . 90.8 mt -64.44 -35.85 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.542 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.561 ' OD1' ' O ' ' A' ' 58' ' ' LYS . 98.7 m-20 -61.03 -16.51 44.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.941 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.481 ' HZ1' ' HA ' ' A' ' 109' ' ' LEU . 97.9 mttt -63.98 -38.47 91.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.001 0.429 . . . . 0.0 110.023 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.714 ' CG ' ' SG ' ' A' ' 128' ' ' CYS . 49.0 m-85 -81.08 130.97 35.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.161 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 131' ' ' LYS . 60.4 ttt85 -63.58 -43.16 97.8 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.618 178.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -148.52 124.43 10.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.658 ' CG2' ' SG ' ' A' ' 128' ' ' CYS . 28.4 pt -126.94 150.64 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.574 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 48.6 t30 -144.89 114.49 7.2 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.819 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.599 ' CB ' ' CG1' ' A' ' 84' ' ' ILE . . . -83.01 152.31 25.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.881 179.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 70.5 p -127.46 162.25 26.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.759 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.575 ' OD1' ' CB ' ' A' ' 124' ' ' HIS . 48.5 p-10 -59.23 175.19 0.33 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.543 HD23 ' ND2' ' A' ' 97' ' ' ASN . 96.3 mt -62.1 -40.46 95.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.504 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.69 -34.61 78.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.963 0.411 . . . . 0.0 110.641 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.592 ' ND1' ' O ' ' A' ' 125' ' ' ASP . 63.8 t-80 -93.17 164.04 13.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.829 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.592 ' O ' ' ND1' ' A' ' 124' ' ' HIS . 97.9 m-20 -98.26 157.78 15.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.669 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.537 ' CD1' ' HA ' ' A' ' 119' ' ' ALA . 14.7 tt -109.23 138.82 34.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.054 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 125' ' ' ASP . 0.6 OUTLIER -127.94 150.5 49.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.717 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.714 ' SG ' ' CG ' ' A' ' 114' ' ' TYR . 54.0 t -132.43 125.98 32.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.43 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.467 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -109.7 129.45 55.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.618 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -59.9 -48.97 79.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.446 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.513 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 37.9 ttmt -117.51 6.8 12.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.135 0.493 . . . . 0.0 110.027 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 96.9 -21.37 46.48 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.535 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 92.1 m-85 -151.25 115.5 5.05 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 31.7 ttpt 174.15 161.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.572 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 10.6 t -68.62 -19.15 64.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.478 ' HB3' ' HE3' ' A' ' 134' ' ' LYS . 88.0 tttt -92.96 117.23 29.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.952 0.406 . . . . 0.0 110.794 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -151.32 158.47 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.504 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 128' ' ' CYS . 88.9 tt0 -114.49 128.24 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.212 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.509 HG21 ' N ' ' A' ' 140' ' ' ILE . 10.6 p -133.55 142.45 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.885 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.509 ' N ' HG21 ' A' ' 139' ' ' VAL . 85.4 mt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.663 ' N ' ' CE1' ' A' ' 3' ' ' TYR . 27.4 ptt? . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 5' ' ' LYS . . . 55.51 51.39 12.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.573 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.663 ' CE1' ' N ' ' A' ' 1' ' ' MET . 96.8 m-85 -76.59 -15.26 59.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.652 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.612 ' O ' ' CD1' ' A' ' 8' ' ' TYR . . . -61.08 -40.22 98.22 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 21.9 ptmt -62.14 -21.35 64.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.661 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.515 ' OG ' ' CZ ' ' A' ' 7' ' ' ARG . 40.8 t -62.17 139.88 58.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.652 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.515 ' CZ ' ' OG ' ' A' ' 6' ' ' SER . 2.9 mpp_? 71.53 -43.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.613 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 4' ' ' GLY . 84.4 m-85 -65.38 -38.89 91.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.437 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 61.6 t30 57.37 39.97 27.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.341 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -152.68 149.21 28.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.796 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -66.05 136.32 55.85 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.985 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.475 ' HD2' ' HB2' ' A' ' 14' ' ' ARG . 23.9 tpp180 -127.62 120.13 27.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.46 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -101.84 0.75 36.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.025 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.475 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . 83.7 mtp180 -81.02 65.68 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 110.712 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -90.99 -5.08 55.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.541 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.48 ' HD2' ' OG ' ' A' ' 19' ' ' SER . 94.3 m-85 -83.14 143.03 30.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.538 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 98.5 m-20 -98.75 7.82 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.702 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.554 ' NH1' ' CG ' ' A' ' 50' ' ' ASP . 21.8 mtt180 160.03 -35.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.835 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.485 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 83.4 p -70.66 159.39 34.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.755 0.312 . . . . 0.0 110.581 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.559 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 54.5 t-20 -131.07 22.39 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -129.26 -81.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.168 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -132.77 144.5 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.78 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.55 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 43.6 ttm180 -60.61 -43.08 97.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.783 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.5 ' OE2' HD11 ' A' ' 89' ' ' LEU . 16.4 tm-20 -61.15 -41.72 97.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.433 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CD1' ' HB3' ' A' ' 19' ' ' SER . 92.0 t80 -59.92 -48.76 80.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.403 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.555 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -61.36 -40.36 93.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.561 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 99.1 mm-40 -63.28 -39.38 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.374 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.535 ' CG ' ' HB3' ' A' ' 88' ' ' LYS . 16.5 tm-20 -63.01 -40.64 98.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.921 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.4 tpt -60.36 -47.96 83.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.156 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.561 ' OD1' ' O ' ' A' ' 28' ' ' GLN . 7.5 p-10 -69.42 -39.01 78.13 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.487 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -61.27 -40.15 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.423 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' CD1' HD23 ' A' ' 45' ' ' LEU . 60.7 tp -59.91 -39.76 86.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.61 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.45 -39.58 88.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.679 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.545 ' NZ ' ' HB2' ' A' ' 31' ' ' ASP . 13.8 mptt -61.72 -39.55 91.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.168 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.585 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . -61.13 -39.71 91.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.411 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.499 ' HD1' ' CD1' ' A' ' 45' ' ' LEU . 92.1 t80 -58.2 -46.61 85.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tm-20 -59.46 -39.59 84.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.661 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.51 ' C ' HD13 ' A' ' 40' ' ' LEU . 57.6 t30 -97.16 15.84 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.12 0.486 . . . . 0.0 110.109 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.585 ' CD1' ' O ' ' A' ' 36' ' ' ALA . 1.5 mp -109.96 72.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.786 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.1 129.12 38.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.04 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.628 ' O ' ' CE3' ' A' ' 43' ' ' TRP . . . 82.53 2.16 90.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.414 -0.675 . . . . 0.0 111.414 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.637 ' CZ3' ' CZ ' ' A' ' 56' ' ' PHE . 9.3 m95 -123.08 147.34 46.83 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -135.44 145.43 47.21 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.525 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.578 HD22 ' CE2' ' A' ' 91' ' ' PHE . 2.6 mp -129.91 145.3 51.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.287 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.1 m -118.48 129.05 55.15 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.833 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.3 p -81.06 -28.23 35.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.8 ptp -50.75 -29.87 12.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.626 ' O ' ' C ' ' A' ' 50' ' ' ASP . 64.1 tttm -148.64 67.39 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.564 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 95.6 m-20 0.87 68.11 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.712 0.632 . . . . 0.0 111.294 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.7 t -150.93 148.71 28.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.206 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.548 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -127.32 152.12 47.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.792 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.54 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 53.5 p90 -143.76 157.74 44.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.03 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.613 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 29.6 mmtp -121.15 145.72 47.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.474 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -114.39 104.26 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.987 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.637 ' CZ ' ' CZ3' ' A' ' 43' ' ' TRP . 97.0 m-85 -96.66 -14.84 21.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.009 0.433 . . . . 0.0 110.276 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.13 -12.03 67.6 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -115.86 -28.08 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.605 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.647 ' CZ ' HD23 ' A' ' 111' ' ' LEU . 53.0 p90 -154.46 160.92 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.819 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -114.72 127.63 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.74 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.583 HG23 ' CE1' ' A' ' 59' ' ' TYR . 43.6 pt -129.27 138.97 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.95 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.518 ' CD ' ' HE1' ' A' ' 73' ' ' HIS . 9.2 ptm180 -134.77 157.07 47.68 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.154 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.536 HD21 ' CE1' ' A' ' 91' ' ' PHE . 8.1 mp -106.83 146.78 30.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.033 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 90.9 p -148.16 163.23 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.996 0.427 . . . . 0.0 110.913 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.488 ' CG ' ' H ' ' A' ' 66' ' ' HIS . 52.0 t30 -56.35 -168.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.621 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.521 ' O ' ' HD2' ' A' ' 85' ' ' LYS . 62.5 m170 -61.68 -39.7 92.35 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.5 t -64.07 138.08 58.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.623 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.528 ' HB1' ' CD ' ' A' ' 71' ' ' LYS . . . -113.29 23.01 13.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.156 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -71.9 -9.85 58.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.466 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.487 ' ND2' ' HZ2' ' A' ' 49' ' ' LYS . 98.4 m-20 -96.48 3.12 52.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.687 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.528 ' CD ' ' HB1' ' A' ' 68' ' ' ALA . 62.6 mtpt -62.06 -40.45 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.068 0.461 . . . . 0.0 110.69 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -73.55 132.38 42.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.85 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.518 ' HE1' ' CD ' ' A' ' 62' ' ' ARG . 99.1 m-70 -108.32 124.89 51.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.744 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.15 -39.34 92.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.9 mt -93.07 143.12 26.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.967 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.597 ' OE2' ' CA ' ' A' ' 78' ' ' GLY . 16.0 tm-20 -90.95 123.93 34.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.142 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -100.16 -21.01 15.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.5 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.597 ' CA ' ' OE2' ' A' ' 76' ' ' GLU . . . 75.0 16.85 80.37 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -129.44 153.63 47.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.61 0.243 . . . . 0.0 110.465 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 114' ' ' TYR . 0.4 OUTLIER -55.98 139.09 47.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.95 127.39 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.701 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.593 ' CG2' ' CD1' ' A' ' 117' ' ' ILE . 53.6 t -116.53 123.13 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.813 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.565 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 84.8 m-20 -103.87 123.16 46.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.29 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 98' ' ' LYS . 84.6 mt -119.27 126.3 75.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.538 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.521 ' HD2' ' O ' ' A' ' 66' ' ' HIS . 57.9 mtmt -101.97 123.48 45.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.369 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -161.39 151.95 17.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.536 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.3 p -71.75 159.58 34.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.251 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.535 ' HB3' ' CG ' ' A' ' 29' ' ' GLU . 98.3 mttt -62.83 -40.1 96.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.353 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.5 HD11 ' OE2' ' A' ' 25' ' ' GLU . 7.7 mp -63.83 -38.56 91.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.428 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -99.33 17.72 19.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.521 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.578 ' CE2' HD22 ' A' ' 45' ' ' LEU . 87.9 t80 -57.98 -49.22 77.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.544 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 95' ' ' ILE . 8.0 p -71.44 -33.13 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.073 0.463 . . . . 0.0 110.307 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.42 -39.38 94.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.245 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.511 HG21 ' O ' ' A' ' 91' ' ' PHE . 7.1 tp -65.92 -36.76 78.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.497 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.56 ' O ' ' HB2' ' A' ' 99' ' ' LEU . 44.1 pt -75.38 -24.94 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.879 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.577 ' OE1' ' OD1' ' A' ' 97' ' ' ASN . 16.5 tm-20 -62.05 -45.58 92.91 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.477 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.577 ' OD1' ' OE1' ' A' ' 96' ' ' GLU . 86.4 m-20 -90.86 -36.46 14.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.821 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.545 ' NZ ' HD11 ' A' ' 126' ' ' ILE . 59.1 tptt -64.34 -43.43 94.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.967 0.413 . . . . 0.0 110.338 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 95' ' ' ILE . 85.9 mt -61.89 -41.37 97.81 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.459 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.23 -39.47 94.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.6 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.588 ' O ' ' NZ ' ' A' ' 105' ' ' LYS . 34.7 mmtp -65.72 -40.45 92.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.862 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.537 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 45.4 pt -72.12 -39.14 64.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.977 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 99' ' ' LEU . 31.1 mm -62.75 -45.57 98.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.826 0.346 . . . . 0.0 110.43 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.35 -44.27 91.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.588 ' NZ ' ' O ' ' A' ' 101' ' ' LYS . 37.8 mtmm -63.4 -40.6 97.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 102' ' ' ILE . 79.9 mt -61.95 -44.48 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.797 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.64 -39.61 88.91 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.317 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -87.45 -31.04 20.24 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.582 ' O ' ' O ' ' A' ' 105' ' ' LYS . 2.8 pp -157.42 138.68 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.726 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.508 ' HB3' ' OD1' ' A' ' 112' ' ' ASP . 99.0 m-20 -65.65 138.61 58.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.35 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.647 HD23 ' CZ ' ' A' ' 59' ' ' TYR . 3.4 pp -80.03 -21.04 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.048 0.452 . . . . 0.0 110.146 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' ' 110' ' ' ASP . 60.0 p30 -71.22 -12.86 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.456 ' HG2' ' HB2' ' A' ' 110' ' ' ASP . 31.6 mmmt -64.41 -39.2 93.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.25 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.567 ' OH ' ' CD1' ' A' ' 109' ' ' LEU . 9.1 m-85 -75.06 133.86 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.241 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 130' ' ' TYR . 57.5 mmm-85 -63.58 -39.64 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.928 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.411 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 94.3 t80 -145.87 126.53 14.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.105 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.593 ' CD1' ' CG2' ' A' ' 82' ' ' VAL . 26.6 pt -127.38 151.26 34.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.363 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.565 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 64.9 t30 -147.72 139.17 23.74 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.875 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.539 ' HB1' ' NZ ' ' A' ' 98' ' ' LYS . . . -112.33 154.36 25.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.995 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.576 ' O ' ' O ' ' A' ' 121' ' ' ASN . 71.2 p -127.37 161.33 28.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.467 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.576 ' O ' ' O ' ' A' ' 120' ' ' THR . 55.9 t30 -39.28 169.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.461 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.96 -40.34 92.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.409 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.79 -34.1 77.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.105 0.479 . . . . 0.0 109.939 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.542 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 66.3 m170 -78.55 163.46 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.695 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.574 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.0 m-20 -98.04 162.78 13.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.409 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.545 HD11 ' NZ ' ' A' ' 98' ' ' LYS . 16.4 tt -109.12 136.22 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.532 ' NZ ' ' CE1' ' A' ' 129' ' ' TYR . 10.3 ptmm? -145.87 141.59 27.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.77 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.516 ' O ' ' HB2' ' A' ' 137' ' ' LYS . 72.0 m -131.53 150.65 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.532 ' CE1' ' NZ ' ' A' ' 127' ' ' LYS . 98.9 m-85 -117.83 141.97 47.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.355 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.504 ' O ' ' HG2' ' A' ' 115' ' ' ARG . 76.0 m-85 -63.4 -40.36 97.0 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.706 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.485 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 16.8 ptpt -117.68 9.97 13.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.982 0.42 . . . . 0.0 110.435 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.445 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.63 -12.86 68.2 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.515 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 83.5 t80 -160.91 116.42 2.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.55 ' HG3' ' N ' ' A' ' 135' ' ' THR . 59.8 tptt 174.83 161.06 0.21 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.391 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.55 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 11.4 t -67.7 -10.11 49.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.132 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.436 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 75.5 mmtt -101.49 119.82 39.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.427 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 64.9 pttt -150.4 158.74 44.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -109.16 129.31 55.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.282 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.512 ' C ' HG13 ' A' ' 140' ' ' ILE . 10.1 p -133.68 139.77 48.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.634 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.527 HD12 ' CG2' ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.548 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.74 0.305 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.36 -43.87 98.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.496 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -64.4 -40.5 95.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.52 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.03 98.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.466 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.04 -41.2 97.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.201 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HG2' HD13 ' A' ' 89' ' ' LEU . 98.5 mt-10 -63.82 -39.12 93.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.45 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 ttp -60.28 -45.93 91.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.772 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.43 -41.97 98.02 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.248 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.518 ' HD2' ' C ' ' A' ' 32' ' ' ARG . 8.2 tmm_? -63.15 -43.0 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.024 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.576 HD11 ' CD2' ' A' ' 91' ' ' PHE . 63.0 tp -61.7 -44.11 97.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.817 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.13 -42.11 97.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.467 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -60.62 -43.55 97.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.521 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.758 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.15 -40.35 93.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.719 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.977 ' CD1' HD11 ' A' ' 45' ' ' LEU . 31.2 m-85 -66.09 -36.78 84.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.798 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.45 -40.91 92.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.519 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -96.44 6.93 47.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.686 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.034 HD12 ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -95.84 99.79 11.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 0.0 110.709 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.7 t0 -66.87 132.63 48.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.787 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.579 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 86.63 8.35 77.11 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.67 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 1.034 ' CD1' HD12 ' A' ' 40' ' ' LEU . 95.5 m95 -116.95 139.49 50.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.813 0.339 . . . . 0.0 110.248 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 67.3 m-85 -135.08 147.89 49.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.973 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.977 HD11 ' CD1' ' A' ' 37' ' ' PHE . 94.0 mt -120.36 139.8 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.655 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 40.3 t -120.38 128.68 53.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.355 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.5 p -66.42 -36.63 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.761 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.05 -45.42 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.851 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.624 ' O ' ' C ' ' A' ' 50' ' ' ASP . 23.2 pttp -117.14 39.48 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.771 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.624 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.4 t0 -3.3 74.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.62 0.575 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 49' ' ' LYS . 94.0 p -153.18 163.53 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.711 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.921 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -125.01 149.45 47.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.728 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.2 p90 -149.81 160.72 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.654 ' CE ' ' CZ ' ' A' ' 56' ' ' PHE . 26.3 ttpt -133.21 129.85 38.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.053 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.559 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 59.5 p30 -106.1 138.57 42.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.965 0.412 . . . . 0.0 111.025 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.654 ' CZ ' ' CE ' ' A' ' 54' ' ' LYS . 90.0 m-85 -102.31 -0.65 32.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.252 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.36 -9.8 76.35 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 99.4 mttt -114.62 -28.75 7.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 110.44 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 1.135 ' CE2' HD21 ' A' ' 111' ' ' LEU . 53.2 p90 -155.0 161.27 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.527 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.818 ' O ' HD12 ' A' ' 81' ' ' ILE . 88.8 tt0 -112.15 128.9 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.946 0.403 . . . . 0.0 111.158 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.685 HG22 ' HB ' ' A' ' 82' ' ' VAL . 48.1 pt -129.0 138.44 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.841 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.611 ' C ' HD12 ' A' ' 63' ' ' LEU . 17.2 ptm180 -133.73 153.87 51.38 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.999 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.792 HD11 HD12 ' A' ' 84' ' ' ILE . 11.1 mp -115.25 151.71 34.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.883 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.2 p -143.14 161.85 37.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.939 0.399 . . . . 0.0 110.899 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.508 ' ND2' ' HE3' ' A' ' 88' ' ' LYS . 10.6 t-20 -61.05 -164.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.956 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -61.14 -24.31 66.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.432 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 C--N 1.33 -0.279 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.063 179.517 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 1.8 mpt_? -118.35 160.22 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.606 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.682 HD11 ' O ' ' A' ' 115' ' ' ARG . 0.3 OUTLIER -56.07 151.23 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.105 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 60' ' ' GLU . 10.8 tp -125.43 140.85 47.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.977 0.417 . . . . 0.0 110.592 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.924 HG22 ' CD1' ' A' ' 117' ' ' ILE . 60.4 t -121.02 125.66 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.483 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.555 ' HB2' ' OD1' ' A' ' 118' ' ' ASN . 98.5 m-20 -99.91 117.11 33.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.793 HG12 ' HB3' ' A' ' 119' ' ' ALA . 83.4 mt -117.76 127.11 75.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.084 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -112.23 128.61 56.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.202 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.682 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -160.18 152.67 20.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.0 m -71.62 149.35 45.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.247 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' HE3' ' ND2' ' A' ' 65' ' ' ASN . 98.3 mttt -62.1 -39.93 94.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.491 HD13 ' HG2' ' A' ' 29' ' ' GLU . 62.3 tp -62.43 -42.22 99.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.404 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -99.55 15.54 26.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.565 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.661 ' O ' HG22 ' A' ' 94' ' ' ILE . 91.3 t80 -58.33 -48.43 80.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.621 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 95' ' ' ILE . 56.3 t -61.34 -42.83 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.114 0.483 . . . . 0.0 110.181 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.29 -40.83 97.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.297 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.682 HG12 ' HB2' ' A' ' 86' ' ' ALA . 4.1 tp -64.32 -35.91 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 92' ' ' VAL . 21.2 pt -76.94 -29.17 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.927 -178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 78.4 mm-40 -63.04 -43.58 98.26 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.7 m-20 -91.35 -34.76 14.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.817 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.655 ' HE2' ' HB2' ' A' ' 119' ' ' ALA . 28.9 tptp -64.06 -44.46 92.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.264 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 95' ' ' ILE . 2.3 mp -61.31 -41.65 97.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.754 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.73 -39.77 92.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.571 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 48.6 mmtm -63.28 -39.36 94.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.006 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.582 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -73.24 -41.13 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.48 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.813 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.5 mm -62.0 -46.45 96.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.69 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.37 -43.3 91.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.987 0.422 . . . . 0.0 110.578 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.5 mtpt -63.39 -40.77 98.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.131 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.813 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.3 tt -67.71 -31.0 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.706 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -62.16 -47.22 85.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.982 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.614 ' C ' HD23 ' A' ' 109' ' ' LEU . 58.7 mtmt -73.33 -39.3 65.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.152 0.501 . . . . 0.0 110.207 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.054 HD12 ' OH ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -157.14 142.56 17.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.433 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.45 142.79 58.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.653 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 1.135 HD21 ' CE2' ' A' ' 59' ' ' TYR . 1.4 pp -76.44 -11.76 59.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.351 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 113' ' ' LYS . 59.9 p30 -71.71 -13.22 61.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.551 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.411 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 98.3 mttt -64.71 -38.65 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.214 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 1.054 ' OH ' HD12 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -84.46 126.7 33.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.193 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.682 ' O ' HD11 ' A' ' 80' ' ' LEU . 60.6 ttt85 -62.77 -44.92 94.94 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.266 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.588 ' CE1' ' HG2' ' A' ' 115' ' ' ARG . 98.2 m-85 -129.87 126.11 37.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.939 HG22 ' HB3' ' A' ' 128' ' ' CYS . 37.8 pt -129.9 150.65 34.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.555 ' OD1' ' HB2' ' A' ' 83' ' ' ASN . 44.2 t30 -148.8 137.41 21.25 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.707 -178.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.793 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -109.94 150.2 28.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.648 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.599 HG21 ' CE1' ' A' ' 124' ' ' HIS . 57.9 p -127.02 161.51 28.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -42.75 151.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 1.072 HD12 ' N ' ' A' ' 123' ' ' GLU . 2.4 pp -46.51 -42.0 14.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.914 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 1.072 ' N ' HD12 ' A' ' 122' ' ' LEU . 88.7 tt0 -66.17 -36.26 82.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.08 0.467 . . . . 0.0 109.826 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.599 ' CE1' HG21 ' A' ' 120' ' ' THR . 62.8 t-80 -76.97 164.47 25.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.199 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.516 ' N ' ' ND1' ' A' ' 124' ' ' HIS . 98.3 m-20 -97.51 151.08 20.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.876 0.37 . . . . 0.0 110.367 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.922 ' O ' HG23 ' A' ' 139' ' ' VAL . 15.7 tt -115.13 141.94 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.836 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.519 ' HB2' ' CE ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -150.8 154.24 36.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.939 ' HB3' HG22 ' A' ' 117' ' ' ILE . 71.8 m -129.66 152.31 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.56 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.495 ' O ' ' HB3' ' A' ' 114' ' ' TYR . 98.4 m-85 -117.86 137.12 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.267 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.619 ' CE1' ' HG3' ' A' ' 136' ' ' LYS . 52.4 m-85 -63.82 -40.13 95.89 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.118 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.491 ' HD2' ' C ' ' A' ' 130' ' ' TYR . 14.7 mptt -117.36 7.21 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.978 0.418 . . . . 0.0 110.397 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.475 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.55 -13.53 66.35 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.526 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 86.9 t80 -162.5 116.23 1.75 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.548 ' HG2' ' N ' ' A' ' 135' ' ' THR . 65.2 tttp 174.02 164.47 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.199 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.548 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 82.2 p -69.05 -17.88 63.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.619 ' HG3' ' CE1' ' A' ' 130' ' ' TYR . 60.1 tptt -94.64 117.68 30.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.105 0.479 . . . . 0.0 110.808 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.519 ' CE ' ' HB2' ' A' ' 127' ' ' LYS . 22.2 ptmt -150.72 158.99 44.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.38 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 127' ' ' LYS . 79.4 mm-40 -113.26 141.89 46.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.579 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.953 ' O ' HD13 ' A' ' 140' ' ' ILE . 11.3 p -138.5 141.62 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.953 HD13 ' O ' ' A' ' 139' ' ' VAL . 25.1 mm . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.516 HH21 ' CB ' ' A' ' 27' ' ' ALA . 7.6 tpm_? . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.846 0.355 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -59.99 -42.31 93.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -62.57 -41.05 98.69 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.222 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.516 ' CB ' HH21 ' A' ' 24' ' ' ARG . . . -62.46 -40.69 97.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -62.36 -41.18 98.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.414 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.576 ' CB ' ' NZ ' ' A' ' 88' ' ' LYS . 78.3 mm-40 -62.87 -39.26 93.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.576 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.49 ' SD ' ' HD2' ' A' ' 88' ' ' LYS . 96.1 mmm -61.97 -41.44 98.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.5 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.3 -41.71 98.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.948 0.404 . . . . 0.0 109.952 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -63.49 -42.12 98.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.26 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' O ' ' HD1' ' A' ' 37' ' ' PHE . 62.2 tp -60.93 -44.41 97.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.393 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.79 -40.77 96.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.301 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -60.38 -41.87 94.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.711 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.726 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.48 -41.06 93.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.68 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.124 ' CG ' HD11 ' A' ' 45' ' ' LEU . 40.4 m-85 -67.62 -34.8 77.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.841 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.1 -41.08 91.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.225 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -93.92 3.24 55.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.398 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.726 HD23 ' O ' ' A' ' 36' ' ' ALA . 1.1 mm? -103.08 93.74 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.74 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.487 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 98.8 m-20 -63.89 140.0 58.83 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.197 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 82.3 4.62 90.12 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.973 ' CH2' HG23 ' A' ' 95' ' ' ILE . 68.3 m95 -117.95 126.14 51.78 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 80.8 m-85 -139.49 148.85 43.24 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.61 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.124 HD11 ' CG ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -127.86 151.43 49.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.115 179.281 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.8 p -120.09 131.44 55.07 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.567 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -64.02 -43.31 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.498 ' HE3' ' HG3' ' A' ' 49' ' ' LYS . 67.5 ttp -60.5 -45.79 92.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.343 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.626 ' O ' ' C ' ' A' ' 50' ' ' ASP . 99.7 mttt -113.25 38.4 2.88 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.007 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 66.9 t0 -2.24 72.83 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.597 0.561 . . . . 0.0 111.197 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.1 t -149.1 148.94 30.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.431 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.96 141.96 40.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 51.9 p90 -146.55 160.12 42.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.611 ' HE2' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -145.48 149.42 34.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.893 0.378 . . . . 0.0 110.853 -179.735 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -115.06 110.38 19.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.267 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.592 ' CE1' ' HG3' ' A' ' 54' ' ' LYS . 96.8 m-85 -89.82 -7.8 53.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.331 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.6 -9.71 76.82 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -115.16 -36.22 4.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.939 0.4 . . . . 0.0 110.493 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.643 ' CE2' HD11 ' A' ' 106' ' ' ILE . 52.3 p90 -156.84 161.18 39.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.437 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -108.61 129.56 55.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.942 0.401 . . . . 0.0 111.076 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.77 HG22 ' HB ' ' A' ' 82' ' ' VAL . 45.9 pt -126.23 138.92 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.84 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 83' ' ' ASN . 41.3 ptt180 -122.35 152.3 40.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.951 0.405 . . . . 0.0 110.895 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.095 HD22 ' CE1' ' A' ' 91' ' ' PHE . 1.1 tt -110.08 131.33 55.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.921 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.755 ' N ' HD23 ' A' ' 63' ' ' LEU . 47.1 t -146.82 152.21 38.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.528 ' O ' ' O ' ' A' ' 64' ' ' SER . 52.3 t30 -55.4 -144.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.766 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.437 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 34.3 p-80 -58.2 -28.29 64.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.711 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.559 ' O ' ' OG ' ' A' ' 64' ' ' SER . 91.8 p . . . . . 0 C--N 1.328 -0.334 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.266 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.463 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.591 ' NH2' ' OD2' ' A' ' 112' ' ' ASP . 30.9 mmm180 -130.14 157.98 40.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.321 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.762 HD11 ' O ' ' A' ' 114' ' ' TYR . 2.6 mm? -56.41 141.54 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.764 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.0 mt -116.95 124.36 72.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.667 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.828 HG13 HG22 ' A' ' 117' ' ' ILE . 89.4 t -122.63 127.24 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.229 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.522 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 53.4 p30 -113.88 153.08 29.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.562 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.792 ' HA ' ' HB3' ' A' ' 119' ' ' ALA . 89.6 mt -124.66 128.27 73.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.74 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 64' ' ' SER . 58.4 mtmt -101.77 120.32 40.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.34 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.85 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -158.9 155.75 28.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.1 p -71.35 161.31 31.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.576 ' NZ ' ' CB ' ' A' ' 29' ' ' GLU . 29.4 ttpp -60.86 -42.97 98.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.592 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.604 HD23 ' OD1' ' A' ' 90' ' ' ASN . 9.9 tt -62.69 -42.8 99.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.34 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.604 ' OD1' HD23 ' A' ' 89' ' ' LEU . 98.6 m-20 -101.07 16.43 25.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.324 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 1.095 ' CE1' HD22 ' A' ' 63' ' ' LEU . 78.1 t80 -58.26 -49.46 77.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.594 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.663 ' HA ' HD12 ' A' ' 95' ' ' ILE . 9.8 p -70.34 -33.61 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.962 0.411 . . . . 0.0 109.997 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -61.81 -42.22 98.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.61 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.85 HG12 ' HB2' ' A' ' 86' ' ' ALA . 4.3 tp -60.04 -29.72 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.038 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.973 HG23 ' CH2' ' A' ' 43' ' ' TRP . 88.0 mt -60.76 -46.45 96.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.263 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.678 ' OE1' ' ND2' ' A' ' 97' ' ' ASN . 15.8 tm-20 -63.82 -46.47 84.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.808 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.678 ' ND2' ' OE1' ' A' ' 96' ' ' GLU . 9.5 m120 -70.52 -41.74 72.19 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.765 ' HG2' HG23 ' A' ' 84' ' ' ILE . 14.0 mptt -74.16 -41.25 61.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.308 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.757 HD13 HD11 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -61.42 -42.59 98.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.076 0.465 . . . . 0.0 109.946 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.548 ' OD2' ' OE2' ' A' ' 96' ' ' GLU . 98.9 m-20 -63.5 -39.26 93.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.6 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 33.6 mmtp -64.75 -39.53 93.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.71 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.757 HD11 HD13 ' A' ' 99' ' ' LEU . 43.1 pt -73.15 -36.07 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.886 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 99' ' ' LEU . 28.4 mm -62.13 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.091 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.06 -42.18 98.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.331 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.852 ' HD2' HD11 ' A' ' 109' ' ' LEU . 17.9 tppt? -60.43 -45.21 94.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.159 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.643 HD11 ' CE2' ' A' ' 59' ' ' TYR . 78.5 mt -61.58 -44.25 98.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.495 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.69 -39.84 89.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.332 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.658 ' HB2' HD23 ' A' ' 109' ' ' LEU . 75.5 mmtt -84.26 -34.04 23.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.038 0.447 . . . . 0.0 109.904 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.852 HD11 ' HD2' ' A' ' 105' ' ' LYS . 1.0 OUTLIER -157.19 138.64 13.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.21 179.607 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.72 140.46 58.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.858 0.361 . . . . 0.0 111.01 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.58 HD12 HD11 ' A' ' 106' ' ' ILE . 95.4 mt -70.15 -22.63 62.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.945 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.591 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 98.5 m-20 -61.35 -22.61 65.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.403 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -64.04 -39.48 94.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.172 0.511 . . . . 0.0 109.983 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.762 ' O ' HD11 ' A' ' 80' ' ' LEU . 83.4 m-85 -77.91 151.96 33.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.107 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.734 ' CA ' HD11 ' A' ' 80' ' ' LEU . 41.6 mmt180 -105.62 -25.86 12.09 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.75 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.643 ' C ' HD12 ' A' ' 117' ' ' ILE . 90.4 t80 -144.81 127.08 15.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.954 0.407 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.828 HG22 HG13 ' A' ' 82' ' ' VAL . 1.2 mp -131.09 135.45 59.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.44 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.54 ' O ' HG13 ' A' ' 126' ' ' ILE . 65.4 t30 -135.14 110.74 9.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.976 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.792 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -84.04 149.36 26.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.49 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.563 ' O ' ' O ' ' A' ' 121' ' ' ASN . 70.7 p -129.21 161.32 30.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.593 ' ND2' ' OE1' ' A' ' 123' ' ' GLU . 54.0 t30 -41.95 174.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.599 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.486 HD21 ' OD1' ' A' ' 97' ' ' ASN . 88.3 mt -61.24 -40.24 93.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.766 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.593 ' OE1' ' ND2' ' A' ' 121' ' ' ASN . 60.3 mp0 -66.47 -34.73 78.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 109.882 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.544 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 64.3 m170 -88.28 154.18 20.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.526 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.43 164.39 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 1.112 ' O ' HG23 ' A' ' 139' ' ' VAL . 20.7 tt -109.67 141.3 25.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.771 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.558 ' HB2' ' CE ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -129.49 152.94 48.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.098 0.475 . . . . 0.0 111.342 -179.144 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.641 ' SG ' HG13 ' A' ' 117' ' ' ILE . 84.2 m -123.82 148.16 46.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.26 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.415 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.7 m-85 -117.25 134.7 54.49 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.519 ' O ' ' HG2' ' A' ' 115' ' ' ARG . 83.5 m-85 -64.05 -41.33 97.43 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.121 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.455 ' HA ' ' HG3' ' A' ' 115' ' ' ARG . 75.5 mmtt -111.99 5.21 18.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.423 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.578 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 91.93 -14.37 64.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 84.2 t80 -162.4 115.37 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 39.4 ttmt 174.58 164.89 0.24 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.888 0.375 . . . . 0.0 110.591 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.523 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 96.1 m -66.52 -40.08 88.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.143 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.472 ' O ' ' HD1' ' A' ' 130' ' ' TYR . 75.6 mmtt -75.73 118.88 19.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.302 0.572 . . . . 0.0 111.114 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.558 ' CE ' ' HB2' ' A' ' 127' ' ' LYS . 22.0 ptmt -151.35 158.42 43.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.152 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.589 ' CD ' ' NZ ' ' A' ' 105' ' ' LYS . 88.6 tt0 -120.3 131.37 54.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 0.0 110.446 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 1.112 HG23 ' O ' ' A' ' 126' ' ' ILE . 8.0 p -131.51 140.83 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.688 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.451 HD11 ' HE2' ' A' ' 105' ' ' LYS . 86.8 mt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.584 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 . . . . . 0 C--O 1.232 0.141 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -64.54 -41.44 96.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.159 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.486 ' CE1' ' NZ ' ' A' ' 88' ' ' LYS . 89.6 t80 -59.89 -48.4 81.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.503 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.4 94.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.521 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -62.2 -41.66 98.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.771 ' OE1' HD22 ' A' ' 89' ' ' LEU . 54.1 tp10 -61.97 -41.97 98.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.563 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.597 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 28.1 ttt -60.5 -44.79 95.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.573 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.53 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 98.5 m-20 -60.85 -38.48 85.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.507 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.59 ' NH1' ' CD1' ' A' ' 89' ' ' LEU . 79.8 ttt180 -59.84 -37.16 78.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.765 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.93 -39.21 84.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.334 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.597 ' OE1' ' O ' ' A' ' 30' ' ' MET . 53.3 mp0 -61.9 -39.94 93.72 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.104 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -60.97 -44.2 97.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.27 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.796 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.53 -39.15 89.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.525 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 76.7 t80 -57.99 -47.13 83.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.464 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.94 -39.26 81.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.776 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.23 8.18 43.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.191 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.869 HD12 ' CD1' ' A' ' 43' ' ' TRP . 1.7 mm? -113.03 86.82 2.45 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.911 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.565 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 59.4 p30 -67.9 141.05 56.51 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.22 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.45 6.99 88.8 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.651 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.869 ' CD1' HD12 ' A' ' 40' ' ' LEU . 99.7 m95 -118.4 140.75 49.37 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.692 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.666 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 79.8 m-85 -136.96 147.27 46.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.098 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.797 HD21 ' HB2' ' A' ' 52' ' ' ALA . 88.2 mt -116.87 141.88 47.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 68.9 m -115.68 129.03 56.33 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.368 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 t -65.91 -42.96 89.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.53 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.3 ptp -61.25 -29.7 70.0 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.959 0.409 . . . . 0.0 110.599 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.613 ' O ' ' C ' ' A' ' 50' ' ' ASP . 26.0 pttm -140.25 54.46 1.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.363 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.613 ' C ' ' O ' ' A' ' 49' ' ' LYS . 38.9 t0 -17.81 86.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.986 0.422 . . . . 0.0 110.263 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.5 t -148.39 147.07 28.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.947 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.954 ' HB3' ' HZ ' ' A' ' 91' ' ' PHE . . . -112.42 144.33 42.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.233 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.666 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.1 p90 -148.97 160.49 43.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.989 0.423 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.612 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . 87.3 tttt -131.5 133.83 45.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.873 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -107.35 128.75 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.69 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.573 ' HZ ' ' HZ3' ' A' ' 54' ' ' LYS . 27.4 m-85 -104.5 -14.11 15.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.58 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.99 -9.71 77.08 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 14.4 mptt -115.39 -31.92 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 0.0 110.162 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.909 ' CD2' HD22 ' A' ' 111' ' ' LEU . 51.8 p90 -152.51 159.85 43.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.331 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.552 ' HB2' ' NE ' ' A' ' 79' ' ' ARG . 88.9 tt0 -103.41 128.89 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.107 0.48 . . . . 0.0 111.458 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.623 HG21 ' HE1' ' A' ' 59' ' ' TYR . 44.1 pt -126.81 135.18 64.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.784 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.799 ' C ' HD12 ' A' ' 63' ' ' LEU . 9.9 ptp85 -142.32 157.53 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.49 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 63' ' ' LEU . 3.5 mp -119.73 144.47 47.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.902 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.1 p -147.87 163.75 35.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.008 0.432 . . . . 0.0 110.904 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 66' ' ' HIS . 2.1 t-20 -57.82 -161.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.607 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.46 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 53.3 p-80 -62.48 -19.91 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.617 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.355 179.821 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.535 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.552 ' NE ' ' HB2' ' A' ' 60' ' ' GLU . 41.5 ptt180 -134.99 161.17 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.755 0.312 . . . . 0.0 110.474 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.832 HD11 ' CA ' ' A' ' 115' ' ' ARG . 3.9 mm? -59.58 143.93 48.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.594 HG23 HH22 ' A' ' 62' ' ' ARG . 50.9 mm -116.8 126.54 74.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.862 HG13 ' CG2' ' A' ' 117' ' ' ILE . 78.0 t -118.42 124.33 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.759 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -106.75 112.04 24.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.389 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.759 HD13 ' HB3' ' A' ' 98' ' ' LYS . 87.5 mt -106.09 125.31 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.942 0.401 . . . . 0.0 110.738 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -103.14 131.77 49.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.275 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.85 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -155.11 153.67 31.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.729 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 91' ' ' PHE . 69.8 m -68.83 149.72 48.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.36 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.556 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 62.2 mtpt -61.7 -40.4 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.546 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.771 HD22 ' OE1' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -64.56 -42.25 95.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.62 18.43 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.302 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.954 ' HZ ' ' HB3' ' A' ' 52' ' ' ALA . 93.1 t80 -58.32 -49.04 78.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.028 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.516 ' HA ' HD12 ' A' ' 95' ' ' ILE . 9.0 p -66.8 -37.3 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.159 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.438 ' N ' HG13 ' A' ' 92' ' ' VAL . 98.5 m-20 -62.39 -39.63 93.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.785 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.85 HG12 ' HB2' ' A' ' 86' ' ' ALA . 3.8 tp -63.29 -29.43 47.21 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.418 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.527 HG22 HD12 ' A' ' 99' ' ' LEU . 77.2 mt -61.57 -44.32 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.41 -47.46 86.0 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.379 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 34.7 m120 -75.18 -40.81 59.13 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.759 ' HB3' HD13 ' A' ' 84' ' ' ILE . 74.5 mmtt -65.78 -41.76 91.63 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.966 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.866 HD21 ' HZ2' ' A' ' 43' ' ' TRP . 74.8 mt -63.34 -40.22 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.326 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.56 -39.78 94.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.732 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.8 mmtt -63.54 -39.27 93.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.212 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.584 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.29 -43.18 31.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.759 -179.286 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.793 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.8 mm -61.75 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.39 -43.43 94.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.993 0.425 . . . . 0.0 110.569 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.4 mtpt -63.14 -40.83 98.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.172 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.793 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.0 tt -70.09 -30.5 44.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.662 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.77 -39.94 93.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -73.12 -38.22 66.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.153 0.501 . . . . 0.0 109.848 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.657 ' O ' HD12 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -156.98 149.62 23.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.691 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.41 148.87 51.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.909 HD22 ' CD2' ' A' ' 59' ' ' TYR . 8.5 mp -68.41 -7.21 29.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.289 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.516 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 98.4 m-20 -60.54 -36.19 77.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.452 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.553 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 68.4 mttm -63.78 -39.05 93.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.386 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.807 ' O ' HD21 ' A' ' 80' ' ' LEU . 52.2 m-85 -76.08 146.11 39.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.485 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.832 ' CA ' HD11 ' A' ' 80' ' ' LEU . 10.6 mpt_? -113.87 -33.41 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.71 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.584 ' C ' HD12 ' A' ' 117' ' ' ILE . 87.3 t80 -139.23 126.55 21.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.01 0.433 . . . . 0.0 110.796 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.862 ' CG2' HG13 ' A' ' 82' ' ' VAL . 1.3 mp -126.87 137.31 58.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.26 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.534 ' O ' HG13 ' A' ' 126' ' ' ILE . 67.2 t30 -138.38 111.22 7.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.69 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -95.6 146.08 24.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.739 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.594 ' O ' ' NZ ' ' A' ' 98' ' ' LYS . 9.9 m -127.4 160.32 31.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.155 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 124' ' ' HIS . 73.2 m-20 -38.41 150.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 123' ' ' GLU . 4.0 pp -46.87 -27.9 1.4 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.734 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.536 ' N ' HD12 ' A' ' 122' ' ' LEU . 99.0 mt-10 -66.08 -33.9 76.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.226 0.536 . . . . 0.0 109.574 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.557 ' HB2' ' CG2' ' A' ' 120' ' ' THR . 78.1 m80 -100.91 164.54 11.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.432 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.35 170.63 8.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.509 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.577 HD12 ' HB2' ' A' ' 119' ' ' ALA . 21.2 tt -108.7 135.47 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.049 0.452 . . . . 0.0 110.217 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.447 ' HG2' ' HB ' ' A' ' 139' ' ' VAL . 60.5 mtpt -124.64 148.08 48.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.363 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 138' ' ' GLU . 31.1 p -136.45 164.51 27.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.865 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.49 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.2 m-85 -117.28 138.71 51.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.063 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.62 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 69.1 t80 -59.87 -48.75 80.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.676 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.62 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 68.8 mttm -115.78 9.79 15.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.565 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.582 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 93.82 -15.95 61.94 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.538 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 82.8 t80 -161.89 115.72 1.87 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 23.4 ttmm 173.13 163.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.452 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.516 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 12.3 t -68.32 -21.83 64.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.981 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -82.83 128.7 34.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.465 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -150.73 158.46 44.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.62 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.601 ' HB3' ' SG ' ' A' ' 128' ' ' CYS . 88.9 tt0 -126.61 129.56 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.526 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 126' ' ' ILE . 11.6 p -139.28 141.68 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.531 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.502 HD13 ' HD2' ' A' ' 101' ' ' LYS . 13.1 tt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.606 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.521 0.2 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.7 -39.71 94.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.454 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.12 -38.71 91.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.74 95.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.475 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.45 -39.78 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.293 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.554 ' HG2' ' CD2' ' A' ' 89' ' ' LEU . 98.3 mt-10 -62.67 -39.33 93.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.403 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.0 mtt -62.35 -40.62 97.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.83 -41.24 97.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.28 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.493 ' HD2' ' HA ' ' A' ' 89' ' ' LEU . 43.6 ttm180 -63.07 -42.14 99.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.28 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.83 -43.28 98.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.498 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.8 -40.3 94.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.083 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -63.09 -39.59 95.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.118 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.917 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.54 -39.31 90.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.68 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.453 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 77.6 t80 -57.89 -47.48 82.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.45 -38.43 84.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.64 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -96.27 14.61 23.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.328 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.917 HD23 ' O ' ' A' ' 36' ' ' ALA . 2.3 mm? -117.98 88.3 2.89 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.769 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 67.5 t0 -67.42 131.7 46.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.079 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 85.63 8.91 79.5 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.029 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.62 ' CZ3' HD13 ' A' ' 63' ' ' LEU . 94.3 m95 -118.8 138.06 52.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.929 0.364 . . . . 0.0 110.793 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.663 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 81.6 m-85 -137.68 146.14 43.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.686 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 51' ' ' SER . 2.7 mp -120.69 142.53 49.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.496 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -120.26 129.32 54.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.679 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.586 ' OG ' ' CE ' ' A' ' 48' ' ' MET . 89.7 p -64.25 -31.18 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.669 ' SD ' ' N ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -62.51 -40.23 96.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.694 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.62 ' O ' ' C ' ' A' ' 50' ' ' ASP . 15.2 ptpt -122.41 39.42 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.604 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.62 ' C ' ' O ' ' A' ' 49' ' ' LYS . 68.1 t0 0.56 69.55 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.44 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 49' ' ' LYS . 97.4 p -154.81 164.19 39.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.665 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -121.49 150.89 40.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.156 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.663 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.1 p90 -145.9 159.76 42.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.187 0.517 . . . . 0.0 111.251 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.828 ' NZ ' HD11 ' A' ' 99' ' ' LEU . 87.3 tttt -133.06 130.86 39.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.457 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 67.0 t0 -109.7 106.22 15.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.673 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.64 ' HE1' HD13 ' A' ' 61' ' ' ILE . 34.3 m-85 -78.31 -14.56 59.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.272 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 92.99 -9.55 75.13 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' C ' ' NH2' ' A' ' 79' ' ' ARG . 2.1 mptp? -114.07 -30.62 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.037 0.446 . . . . 0.0 110.041 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.775 ' OH ' HD11 ' A' ' 106' ' ' ILE . 51.0 p90 -153.08 158.45 41.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.549 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.579 ' OE2' ' NH2' ' A' ' 62' ' ' ARG . 88.8 tt0 -99.9 130.0 46.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.112 0.482 . . . . 0.0 111.397 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.664 HD11 ' HD3' ' A' ' 54' ' ' LYS . 45.4 pt -130.11 138.21 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.038 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.579 ' NH2' ' OE2' ' A' ' 60' ' ' GLU . 10.0 ptp180 -139.83 156.65 46.62 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.464 -0.495 . . . . 0.0 111.296 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.728 HD11 HD12 ' A' ' 84' ' ' ILE . 8.1 mp -113.11 147.78 36.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.171 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 92.9 p -145.77 162.74 36.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.087 0.47 . . . . 0.0 110.892 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.885 ' ND2' ' H ' ' A' ' 66' ' ' HIS . 3.2 t30 -69.25 -175.82 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.462 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.885 ' H ' ' ND2' ' A' ' 65' ' ' ASN . 56.3 t-80 -58.96 -46.15 88.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.079 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.556 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.617 ' NH2' ' N ' ' A' ' 59' ' ' TYR . 9.6 ptm85 -75.62 159.18 31.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.58 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.931 HD23 ' O ' ' A' ' 114' ' ' TYR . 3.0 tm? -60.54 130.14 45.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.496 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.83 ' N ' HD13 ' A' ' 80' ' ' LEU . 84.9 mt -115.36 124.66 72.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.051 HG13 HG22 ' A' ' 117' ' ' ILE . 88.1 t -118.18 124.79 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.156 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.576 ' OD1' ' CG ' ' A' ' 62' ' ' ARG . 83.6 m-20 -107.26 134.58 50.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.735 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.728 HD12 HD11 ' A' ' 63' ' ' LEU . 85.6 mt -119.78 125.59 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.391 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.582 ' CE ' ' O ' ' A' ' 66' ' ' HIS . 61.8 mtpt -98.28 131.11 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.568 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.982 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -160.09 153.19 21.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 111.164 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.3 t -67.47 146.93 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.325 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 63.1 mttp -60.5 -40.19 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 110.148 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.554 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 86.9 mt -63.48 -39.42 94.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.107 0.48 . . . . 0.0 109.957 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -104.12 19.26 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.247 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.897 ' O ' HG22 ' A' ' 94' ' ' ILE . 88.0 t80 -58.31 -48.74 79.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.811 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.625 HG23 HD21 ' A' ' 40' ' ' LEU . 7.5 p -66.42 -38.2 81.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 110.399 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 92' ' ' VAL . 98.3 m-20 -62.87 -39.26 93.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.982 HG12 ' HB2' ' A' ' 86' ' ' ALA . 7.8 tp -61.89 -29.99 47.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.934 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.696 HD13 HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -70.82 -29.47 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.795 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.554 ' N ' HG13 ' A' ' 95' ' ' ILE . 88.9 tt0 -64.04 -44.37 92.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.986 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.533 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 27.7 t-20 -85.81 -47.37 9.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.698 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.678 ' HB3' HD13 ' A' ' 84' ' ' ILE . 73.8 mmtt -64.22 -41.28 97.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.521 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.866 ' CD2' HD11 ' A' ' 103' ' ' ILE . 7.5 tt -65.89 -40.75 91.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.22 0.534 . . . . 0.0 110.027 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.451 ' HA ' HD12 ' A' ' 103' ' ' ILE . 61.7 t0 -64.13 -40.4 96.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.584 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 73.4 mmtt -62.92 -40.06 96.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.941 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.615 ' O ' HD12 ' A' ' 106' ' ' ILE . 39.8 pt -72.43 -33.28 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.866 HD11 ' CD2' ' A' ' 99' ' ' LEU . 88.0 mt -62.25 -46.03 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.604 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.2 -42.45 96.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.214 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.846 ' HE2' HD12 ' A' ' 140' ' ' ILE . 98.1 mttt -62.39 -40.51 96.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.711 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.775 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -62.9 -38.14 81.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.965 0.412 . . . . 0.0 111.002 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.9 -41.43 96.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.311 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.577 ' HB2' HD13 ' A' ' 109' ' ' LEU . 63.4 mttp -72.96 -37.79 66.96 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.149 0.499 . . . . 0.0 109.839 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.893 HD13 ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -156.35 178.48 10.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.547 ' H ' ' NZ ' ' A' ' 113' ' ' LYS . 97.7 m-20 -103.33 143.31 32.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.481 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.538 HD13 HG13 ' A' ' 106' ' ' ILE . 8.5 mp -63.75 -12.24 33.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 110.167 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -59.84 -40.88 90.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.573 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.547 ' NZ ' ' H ' ' A' ' 110' ' ' ASP . 37.4 mtmm -64.42 -39.4 93.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.996 0.427 . . . . 0.0 110.66 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.931 ' O ' HD23 ' A' ' 80' ' ' LEU . 92.8 m-85 -72.23 138.98 47.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.661 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.568 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 22.5 tpp180 -86.28 -44.5 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.223 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.617 ' C ' HD12 ' A' ' 117' ' ' ILE . 91.5 t80 -150.87 131.35 13.81 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.178 0.513 . . . . 0.0 111.771 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 1.051 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -128.24 137.96 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.299 178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 66.5 t30 -135.01 113.91 11.94 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.188 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.647 ' HB1' ' HZ2' ' A' ' 98' ' ' LYS . . . -82.75 152.2 25.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.571 ' O ' ' O ' ' A' ' 121' ' ' ASN . 63.9 p -126.77 161.44 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.347 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.571 ' O ' ' O ' ' A' ' 120' ' ' THR . 26.9 m120 -39.55 171.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.743 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.53 -40.33 91.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.37 -34.85 78.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.144 0.497 . . . . 0.0 109.662 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.535 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 79.6 m80 -83.3 157.94 22.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.656 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.531 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.0 m-20 -98.99 168.92 9.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.266 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 139' ' ' VAL . 19.9 tt -108.14 134.26 50.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.986 0.422 . . . . 0.0 110.05 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -119.64 139.42 52.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.629 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.622 ' SG ' HG13 ' A' ' 117' ' ' ILE . 84.3 m -121.53 141.0 51.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.479 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 97.9 m-85 -114.31 132.43 56.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.448 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.592 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 74.1 t80 -60.3 -48.75 80.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.592 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 99.6 mttt -115.65 8.76 15.1 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.394 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.548 ' N ' ' HB3' ' A' ' 115' ' ' ARG . . . 93.45 -15.07 63.83 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 81.6 t80 -162.39 115.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.554 ' HG2' ' N ' ' A' ' 135' ' ' THR . 65.0 tttm 175.39 164.88 0.31 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.49 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.554 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 82.3 p -68.86 -22.34 64.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.594 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 63.8 tttm -93.16 120.53 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.6 pttt -150.33 158.96 44.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.211 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -118.02 146.02 44.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.371 . . . . 0.0 110.699 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.6 p -139.95 142.37 32.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.536 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.846 HD12 ' HE2' ' A' ' 105' ' ' LYS . 89.3 mt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 2.4 mpt_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.505 0.193 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.95 -39.76 93.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.622 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -64.76 -38.56 91.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.38 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.1 92.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -63.07 -39.91 96.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.341 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' HB3' ' A' ' 89' ' ' LEU . 98.2 mt-10 -62.94 -39.51 94.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.539 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.41 -40.79 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.566 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.97 -40.94 97.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.292 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.578 ' NH1' ' O ' ' A' ' 89' ' ' LEU . 79.8 ttt180 -62.02 -43.1 99.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.474 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' CD1' ' CD2' ' A' ' 91' ' ' PHE . 61.6 tp -60.98 -43.97 98.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.65 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.5 -39.91 95.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -61.08 -44.53 97.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.316 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.943 ' O ' HD13 ' A' ' 40' ' ' LEU . . . -61.57 -39.59 91.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.421 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.656 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 85.1 t80 -57.43 -46.71 83.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.319 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.83 -39.77 82.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.775 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -99.48 11.32 39.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.781 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.943 HD13 ' O ' ' A' ' 36' ' ' ALA . 2.3 mp -105.65 91.69 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.869 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 67.1 t0 -67.24 131.66 46.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.826 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 77.88 21.76 70.61 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.647 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 89.5 m95 -117.58 135.95 53.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.562 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 78.2 m-85 -138.5 146.1 41.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.756 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.656 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 2.8 mp -124.67 144.6 50.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.627 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 t -120.02 129.08 54.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.475 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -64.23 -41.2 97.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.0 mmt -63.09 -40.16 96.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.459 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.617 ' O ' ' C ' ' A' ' 50' ' ' ASP . 58.0 mtmt -114.79 38.88 3.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.253 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.0 t0 -10.36 79.28 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.094 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 49' ' ' LYS . 96.7 p -155.82 163.79 39.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.665 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.603 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -114.83 140.56 48.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.426 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.3 p90 -151.99 163.93 38.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.526 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.721 ' HD2' HD11 ' A' ' 61' ' ' ILE . 19.5 ptpt -137.1 155.95 48.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.7 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -108.01 102.97 12.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.299 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.616 ' CE1' ' HD3' ' A' ' 54' ' ' LYS . 1.6 m-30 -81.66 -16.1 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.231 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.79 -12.23 70.33 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.559 ' NZ ' ' OD2' ' A' ' 110' ' ' ASP . 63.4 mtpt -115.66 -33.2 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 0.0 110.124 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 1.052 ' CZ ' HD12 ' A' ' 111' ' ' LEU . 42.1 p90 -156.6 160.7 39.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.241 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.561 ' O ' ' O ' ' A' ' 80' ' ' LEU . 88.6 tt0 -113.13 130.6 56.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.963 0.411 . . . . 0.0 111.11 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.721 HD11 ' HD2' ' A' ' 54' ' ' LYS . 44.8 pt -123.5 138.0 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.479 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.611 ' O ' HD12 ' A' ' 84' ' ' ILE . 8.9 ptm180 -139.67 157.35 45.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.458 . . . . 0.0 110.982 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.89 ' N ' HD12 ' A' ' 63' ' ' LEU . 1.8 mp -111.09 148.22 33.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.061 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 93.8 p -147.52 170.61 17.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 -179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 65' ' ' ASN . 53.0 p30 -76.62 -168.86 1.09 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.138 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 74.2 m80 -59.64 -39.62 84.97 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.088 179.254 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.515 ' C ' ' HD3' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.515 ' HD3' ' C ' ' A' ' 78' ' ' GLY . 1.9 mpp_? -127.12 161.8 27.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 110.231 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 114' ' ' TYR . 97.8 mt -59.94 145.09 47.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.953 0.406 . . . . 0.0 110.65 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 88.5 mt -121.32 127.32 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.386 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.059 HG22 ' HB ' ' A' ' 117' ' ' ILE . 85.3 t -112.71 119.0 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.763 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.566 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 50.1 t30 -95.41 107.35 19.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.633 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.917 HG13 ' HB3' ' A' ' 119' ' ' ALA . 3.6 mp -109.12 118.58 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.237 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 64' ' ' SER . 99.7 mttt -85.15 129.64 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.633 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.471 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -159.61 156.04 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.648 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.479 ' HB2' ' OD1' ' A' ' 90' ' ' ASN . 68.9 m -68.83 149.33 49.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.4 ' HG2' ' HB3' ' A' ' 29' ' ' GLU . 25.2 ttmm -60.49 -42.49 96.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.526 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.578 ' O ' ' NH1' ' A' ' 32' ' ' ARG . 3.3 pp -73.98 -20.32 60.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.466 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.482 ' ND2' ' CD1' ' A' ' 89' ' ' LEU . 34.3 m120 -101.65 11.67 38.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.779 ' CE1' HD22 ' A' ' 63' ' ' LEU . 91.7 t80 -59.3 -48.74 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.792 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 95' ' ' ILE . 57.2 t -62.36 -44.9 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.6 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -61.22 -42.88 99.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.991 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 91' ' ' PHE . 4.6 tp -61.74 -28.55 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.461 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 92' ' ' VAL . 87.9 mt -60.39 -45.21 96.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.302 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.554 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 53.3 mp0 -62.28 -43.7 98.22 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.348 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.563 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 29.6 t-20 -72.61 -48.99 35.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.928 0.394 . . . . 0.0 111.631 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.694 ' HD3' HG21 ' A' ' 84' ' ' ILE . 29.2 ttpp -64.24 -43.23 95.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.432 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.836 ' O ' HD23 ' A' ' 99' ' ' LEU . 2.5 tt -59.51 -42.69 92.79 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.38 -39.14 93.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.822 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.1 mmtp -64.24 -39.71 94.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.786 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 99' ' ' LEU . 42.9 pt -72.82 -39.32 59.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.912 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.584 HG12 HD23 ' A' ' 99' ' ' LEU . 32.6 mm -63.05 -47.51 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.536 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.559 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 43.8 tt0 -63.54 -43.47 97.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.527 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.813 ' HD2' HD21 ' A' ' 111' ' ' LEU . 40.9 ttmt -61.77 -43.93 97.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.766 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 1.029 HD11 ' OH ' ' A' ' 59' ' ' TYR . 78.8 mt -61.45 -43.31 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.458 . . . . 0.0 112.202 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.99 -41.45 92.09 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.464 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.58 ' C ' HD23 ' A' ' 109' ' ' LEU . 38.3 mtmm -91.5 -26.89 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.657 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.842 HD13 ' OH ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -157.11 116.04 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.322 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.559 ' OD2' ' NZ ' ' A' ' 58' ' ' LYS . 57.0 t0 -62.98 139.52 58.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 1.052 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 87.2 mt -61.71 -38.13 86.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.16 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 80' ' ' LEU . 64.8 t0 -50.6 -23.31 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.08 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 33.0 mmtp -65.63 -38.05 88.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.94 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.842 ' OH ' HD13 ' A' ' 109' ' ' LEU . 53.4 m-85 -86.94 120.85 28.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.372 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.518 ' HD2' ' O ' ' A' ' 131' ' ' LYS . 43.3 ttm180 -63.9 -41.97 97.56 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.394 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.476 ' C ' HG13 ' A' ' 117' ' ' ILE . 78.3 t80 -130.0 127.44 40.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 1.059 ' HB ' HG22 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -132.51 141.65 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.625 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.566 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 53.9 t-20 -148.81 111.57 4.8 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.58 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.917 ' HB3' HG13 ' A' ' 84' ' ' ILE . . . -83.61 155.25 23.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.549 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 47.3 p -126.7 161.58 27.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.276 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.569 ' O ' ' O ' ' A' ' 120' ' ' THR . 54.5 m-20 -39.97 171.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.571 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.65 -40.13 90.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.523 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.6 -34.78 78.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.025 0.441 . . . . 0.0 109.899 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.527 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 50.8 m80 -84.1 159.82 21.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.638 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.577 ' O ' ' OG1' ' A' ' 120' ' ' THR . 15.7 t0 -98.83 170.65 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.204 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 139' ' ' VAL . 18.6 tt -108.32 132.5 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.453 . . . . 0.0 110.305 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -120.57 139.02 53.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.848 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.859 ' SG ' HG23 ' A' ' 117' ' ' ILE . 69.0 m -127.7 147.8 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.361 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.471 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 77.9 m-85 -117.28 135.36 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.6 t80 -59.75 -49.4 77.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.768 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.518 ' O ' ' HD2' ' A' ' 115' ' ' ARG . 11.5 ptmm? -118.11 14.34 14.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.442 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.471 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.04 -12.69 68.36 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.8 t80 -162.01 116.16 1.87 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 56.6 tptt 174.36 160.44 0.18 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.475 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.52 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 82.8 p -69.15 -18.02 63.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.11 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.476 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 24.0 tptm -91.34 120.01 31.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.689 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.2 pttt -150.55 158.96 44.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.216 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.61 ' OE1' ' CE2' ' A' ' 114' ' ' TYR . 51.4 mp0 -120.38 133.71 55.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.317 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.574 ' CG1' ' OD2' ' A' ' 125' ' ' ASP . 86.2 t -126.86 128.73 71.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.567 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 62.6 ttm-85 . . . . . 0 C--O 1.231 0.114 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.574 ' OE2' ' CG ' ' A' ' 29' ' ' GLU . 16.5 tm-20 -64.73 -40.5 95.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.994 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -59.78 -48.41 81.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.536 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.8 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 30.7 mm100 -63.03 -39.68 95.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.334 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.574 ' CG ' ' OE2' ' A' ' 25' ' ' GLU . 78.5 mm-40 -62.54 -39.53 93.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.466 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.5 tpp -60.66 -45.47 94.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.326 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.528 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 98.4 m-20 -61.84 -39.98 93.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.259 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HD3' ' C ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -61.31 -42.11 98.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 179.648 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.675 HD11 ' CD2' ' A' ' 91' ' ' PHE . 4.2 tt -60.38 -45.37 93.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.03 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.49 -41.77 94.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.676 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.571 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -61.03 -37.99 84.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.923 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.35 -39.93 88.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.57 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.122 ' CG ' HD11 ' A' ' 45' ' ' LEU . 65.4 m-85 -64.44 -37.57 87.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.31 -38.86 88.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.347 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -98.1 8.45 44.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.751 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.923 HD23 ' O ' ' A' ' 36' ' ' ALA . 1.4 mm? -106.06 110.25 22.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.631 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.26 128.76 37.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.836 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 82.15 13.55 78.84 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 121.133 -0.556 . . . . 0.0 111.742 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.647 ' HZ2' HD21 ' A' ' 99' ' ' LEU . 90.3 m95 -118.11 128.52 54.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.959 0.409 . . . . 0.0 110.986 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 86.7 m-85 -140.52 151.08 44.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.683 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.122 HD11 ' CG ' ' A' ' 37' ' ' PHE . 2.6 mp -119.26 141.04 49.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 69.9 m -115.46 128.47 56.04 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.268 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -65.47 -45.06 85.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.679 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.4 ttp -59.23 -45.79 90.22 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.389 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -122.04 61.16 0.96 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.868 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.583 ' C ' ' O ' ' A' ' 49' ' ' LYS . 65.6 m-20 -24.88 90.01 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.233 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 49' ' ' LYS . 92.8 p -152.38 165.28 35.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.763 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.522 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -108.64 138.22 45.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.633 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.668 ' CZ ' ' OE2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -107.24 137.47 45.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.839 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.626 ' CE ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -135.38 96.6 3.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.245 179.275 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -98.25 105.92 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.352 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.692 ' HE1' HD11 ' A' ' 61' ' ' ILE . 89.5 m-85 -90.94 -8.36 49.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.03 0.443 . . . . 0.0 110.268 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.45 -10.74 73.53 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -115.38 -28.77 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.938 0.399 . . . . 0.0 110.404 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.88 ' CB ' HD21 ' A' ' 111' ' ' LEU . 52.5 p90 -155.79 161.89 40.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.575 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.668 ' OE2' ' CZ ' ' A' ' 53' ' ' TYR . 89.2 tt0 -113.33 123.76 50.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.732 HG23 ' HD1' ' A' ' 59' ' ' TYR . 47.4 pt -132.08 137.39 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.224 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.654 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 18.3 ptp180 -140.19 159.07 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.496 ' CB ' ' HE1' ' A' ' 91' ' ' PHE . 9.2 mp -105.44 153.29 21.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.345 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.53 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 94.3 p -148.8 163.46 37.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.067 0.461 . . . . 0.0 110.785 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.604 ' OD1' ' N ' ' A' ' 66' ' ' HIS . 16.3 t-20 -65.28 173.05 2.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.752 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.604 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 73.2 m80 -61.04 -38.93 87.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.039 179.243 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.443 ' C ' ' HD3' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' HD3' ' C ' ' A' ' 78' ' ' GLY . 0.7 OUTLIER -125.91 158.93 33.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 110.605 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.803 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.9 OUTLIER -56.42 147.21 22.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.0 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.2 127.44 74.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.588 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.921 HG22 ' CD1' ' A' ' 117' ' ' ILE . 50.6 t -116.25 121.65 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.805 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.574 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 64.9 t30 -97.03 108.91 21.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.71 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.793 HG12 ' HB3' ' A' ' 119' ' ' ALA . 84.4 mt -108.3 119.67 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.276 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 64' ' ' SER . 64.2 mttp -87.81 129.47 35.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.95 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.664 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -161.65 145.64 12.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.404 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.8 p -73.26 159.15 33.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.214 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.407 ' HE2' HD22 ' A' ' 65' ' ' ASN . 1.8 mptp? -63.15 -40.6 98.02 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.498 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.617 HD23 ' OD1' ' A' ' 90' ' ' ASN . 9.9 tt -63.88 -43.08 97.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.701 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.617 ' OD1' HD23 ' A' ' 89' ' ' LEU . 98.6 m-20 -99.78 11.79 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.603 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.72 ' O ' HG22 ' A' ' 94' ' ' ILE . 90.2 t80 -58.89 -48.68 80.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.739 ' HA ' HD12 ' A' ' 95' ' ' ILE . 57.6 t -61.93 -44.95 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.496 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -61.03 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.954 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.72 HG22 ' O ' ' A' ' 91' ' ' PHE . 3.9 tp -61.01 -28.59 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.181 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.841 ' O ' HD13 ' A' ' 99' ' ' LEU . 88.4 mt -60.64 -46.55 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.467 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.553 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 60.6 mp0 -63.06 -44.38 95.97 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.78 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.672 HD22 HD21 ' A' ' 122' ' ' LEU . 65.2 t30 -72.37 -46.3 55.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.834 0.349 . . . . 0.0 111.631 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.706 ' HG3' HG21 ' A' ' 84' ' ' ILE . 75.0 mmtt -65.53 -40.3 92.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.981 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.841 HD13 ' O ' ' A' ' 95' ' ' ILE . 9.4 mp -63.84 -43.24 96.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.14 0.495 . . . . 0.0 109.871 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.13 -39.41 94.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.762 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 48.4 mmtm -64.47 -39.47 93.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.587 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 44.2 pt -75.27 -39.22 42.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.091 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.548 ' N ' HG13 ' A' ' 102' ' ' ILE . 28.7 mm -62.04 -44.9 99.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.766 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.08 -42.67 99.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.257 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.864 ' HE2' HD12 ' A' ' 140' ' ' ILE . 98.1 mttt -62.41 -41.5 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.836 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.876 HD11 HD22 ' A' ' 111' ' ' LEU . 33.1 mm -62.97 -45.88 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-O 120.962 0.411 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.88 -42.37 98.98 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.699 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -74.3 -38.86 63.23 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.46 0.647 . . . . 0.0 109.936 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.674 HD13 ' OH ' ' A' ' 114' ' ' TYR . 3.0 pp -157.1 168.19 28.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.845 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.528 ' HB3' ' OD1' ' A' ' 112' ' ' ASP . 97.5 m-20 -85.4 128.34 34.68 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.506 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 1.04 HD23 ' N ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -79.32 -20.62 47.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.048 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 1.04 ' N ' HD23 ' A' ' 111' ' ' LEU . 59.3 p30 -69.14 -13.56 62.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.089 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 30.4 mtpp -64.67 -39.07 93.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.994 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.803 ' O ' HD11 ' A' ' 80' ' ' LEU . 7.9 m-85 -73.02 128.97 37.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.793 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.568 ' CG ' ' HA ' ' A' ' 131' ' ' LYS . 42.2 mmt180 -63.69 -39.6 94.73 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.662 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -146.98 125.13 12.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.995 0.426 . . . . 0.0 111.466 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.921 ' CD1' HG22 ' A' ' 82' ' ' VAL . 30.6 pt -129.67 150.54 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.574 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 63.1 t-20 -147.19 113.5 5.91 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.876 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.793 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.0 152.79 25.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.943 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.65 HG22 ' HB2' ' A' ' 124' ' ' HIS . 6.4 m -124.72 156.33 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 0.0 110.54 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.561 ' O ' ' O ' ' A' ' 120' ' ' THR . 12.0 m120 -38.28 169.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.597 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.672 HD21 HD22 ' A' ' 97' ' ' ASN . 90.1 mt -61.41 -40.08 93.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.547 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.7 -35.81 81.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.229 0.538 . . . . 0.0 109.593 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.65 ' HB2' HG22 ' A' ' 120' ' ' THR . 50.6 m80 -86.34 165.15 16.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.294 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 125' ' ' ASP . 54.5 p30 -96.22 172.35 8.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.397 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.585 HD13 ' NZ ' ' A' ' 105' ' ' LYS . 15.2 tt -109.97 133.03 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.71 139.26 52.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.712 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.527 ' HB3' HG22 ' A' ' 117' ' ' ILE . 71.1 m -126.43 146.64 50.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.558 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.519 ' O ' ' HB3' ' A' ' 114' ' ' TYR . 98.4 m-85 -117.27 132.16 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.413 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -60.09 -49.11 78.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.643 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.568 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 17.6 ptmt -117.55 11.84 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.342 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.47 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.2 -12.06 70.29 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.514 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 87.8 t80 -162.37 116.73 1.82 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 133' ' ' PHE . 19.6 mtpt 171.52 165.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.9 0.381 . . . . 0.0 110.842 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 80.4 p -70.22 -22.0 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.435 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -88.57 120.64 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.1 pttt -150.74 158.73 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.537 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.443 ' OE2' ' OH ' ' A' ' 114' ' ' TYR . 99.5 mt-10 -110.25 139.14 45.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.31 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.4 142.27 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.759 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.864 HD12 ' HE2' ' A' ' 105' ' ' LYS . 80.8 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.578 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.529 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 62.7 ttm-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.772 0.32 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.98 -41.8 97.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.945 0.402 . . . . 0.0 110.008 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.89 -49.07 79.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.238 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.29 95.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.54 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 98.7 mm-40 -63.54 -39.87 95.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.685 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.58 ' OE1' ' NH2' ' A' ' 32' ' ' ARG . 54.2 tp10 -61.23 -44.02 97.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.275 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.1 ttt -61.9 -44.57 96.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.566 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 66.1 t0 -60.86 -48.73 80.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.079 0.466 . . . . 0.0 110.484 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.58 ' NH2' ' OE1' ' A' ' 29' ' ' GLU . 60.6 ttp180 -62.6 -45.21 93.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.87 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' HG ' ' HE1' ' A' ' 37' ' ' PHE . 60.4 tp -62.67 -45.29 93.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.633 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.5 pt-20 -65.02 -28.41 69.48 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.006 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 62.0 mtpt -63.22 -39.53 94.9 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.543 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.89 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.13 -41.12 96.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.357 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.022 ' CD2' HD11 ' A' ' 45' ' ' LEU . 84.7 m-85 -65.35 -38.84 91.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.597 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.23 -38.65 90.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -95.41 6.53 48.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.89 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -102.33 98.29 8.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.619 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.567 ' OD1' ' O ' ' A' ' 41' ' ' ASP . 58.5 p30 -67.57 141.78 56.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.524 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.559 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 82.51 2.46 90.62 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.112 -0.566 . . . . 0.0 111.718 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.662 ' HZ2' HD21 ' A' ' 99' ' ' LEU . 94.3 m95 -117.83 135.12 54.29 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.526 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 74.4 m-85 -138.32 146.42 42.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.022 HD11 ' CD2' ' A' ' 37' ' ' PHE . 2.9 mp -126.3 148.14 49.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.515 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.9 p -119.08 135.65 54.54 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.4 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.5 m -67.55 -40.77 84.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.353 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.31 -40.63 96.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.533 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.607 ' O ' ' N ' ' A' ' 51' ' ' SER . 30.1 mmmt -121.51 49.57 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.072 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.3 m-20 -18.39 84.63 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.811 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.8 t -152.48 149.94 29.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.715 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.591 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -108.82 138.03 45.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.474 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.9 p90 -151.55 160.58 43.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.687 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.74 ' HZ3' ' HE1' ' A' ' 56' ' ' PHE . 21.3 ttpp -132.91 131.93 41.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.988 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -100.42 105.59 17.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.333 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.74 ' HE1' ' HZ3' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -89.01 -12.25 41.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.999 0.428 . . . . 0.0 110.354 179.1 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.48 -10.1 75.52 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.493 ' HE2' ' OD2' ' A' ' 112' ' ' ASP . 16.8 tptm -109.05 -40.23 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.02 0.438 . . . . 0.0 109.916 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.613 ' HE1' HG21 ' A' ' 61' ' ' ILE . 52.8 p90 -153.73 161.14 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.4 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -107.43 129.97 54.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 111.16 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.697 HG22 ' HB ' ' A' ' 82' ' ' VAL . 49.4 pt -129.22 137.88 55.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.151 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.587 ' NH2' ' OG ' ' A' ' 51' ' ' SER . 17.8 ptm180 -140.02 157.53 45.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.017 0.437 . . . . 0.0 111.176 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 95' ' ' ILE . 8.3 mp -112.56 152.79 28.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.277 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.5 p -148.16 164.26 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.755 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -62.96 -163.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.497 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -59.1 -46.62 87.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.267 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.329 -0.317 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.317 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.466 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.523 0.566 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 78' ' ' GLY . 31.1 mmm180 -133.54 156.35 47.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.322 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.77 HD11 ' CA ' ' A' ' 115' ' ' ARG . 2.5 mm? -56.57 137.98 52.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.548 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.5 mt -118.64 125.88 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.91 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.966 HG13 HG22 ' A' ' 117' ' ' ILE . 84.5 t -121.42 124.61 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.058 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -108.6 136.58 47.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.863 ' HA ' ' HB3' ' A' ' 119' ' ' ALA . 86.6 mt -118.34 126.92 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.486 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -101.54 123.67 45.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.608 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.033 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -160.16 151.05 18.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.505 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.4 p -71.73 160.42 32.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.264 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.35 -40.68 97.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.307 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.55 ' CD2' ' NH2' ' A' ' 32' ' ' ARG . 88.2 mt -64.21 -39.37 93.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.324 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.53 13.42 34.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.756 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CE2' ' CZ ' ' A' ' 37' ' ' PHE . 83.9 t80 -58.77 -49.1 78.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.769 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 95' ' ' ILE . 71.9 t -62.7 -45.61 98.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.264 0.554 . . . . 0.0 110.618 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.38 -39.77 95.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.125 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.033 HG12 ' HB2' ' A' ' 86' ' ' ALA . 6.1 tp -64.05 -36.34 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.4 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.702 HG22 HD21 ' A' ' 63' ' ' LEU . 40.4 pt -78.55 -26.99 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.789 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -62.12 -47.04 86.37 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.631 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.54 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 63.4 t30 -88.44 -38.75 14.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.696 ' HG2' HD13 ' A' ' 84' ' ' ILE . 17.8 tppt? -64.27 -43.01 96.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.335 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.662 HD21 ' HZ2' ' A' ' 43' ' ' TRP . 89.4 mt -62.48 -40.36 96.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.557 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.09 -38.91 93.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.573 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.2 mmtp -64.15 -39.91 95.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.594 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.573 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 43.7 pt -74.53 -39.92 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.705 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.548 ' N ' HG13 ' A' ' 102' ' ' ILE . 91.9 mt -62.76 -46.12 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.045 0.45 . . . . 0.0 110.161 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.581 ' HG3' ' NZ ' ' A' ' 108' ' ' LYS . 54.4 tp10 -63.07 -42.5 99.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.722 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.569 ' NZ ' ' CD ' ' A' ' 138' ' ' GLU . 25.2 ttmm -60.63 -43.0 98.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.833 ' CG1' HD13 ' A' ' 111' ' ' LEU . 76.8 mt -60.79 -42.75 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.826 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -58.8 -48.84 79.86 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.128 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.581 ' NZ ' ' HG3' ' A' ' 104' ' ' GLU . 37.7 mtmm -73.89 -37.16 64.78 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.568 ' O ' ' O ' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -155.37 126.96 7.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.172 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.03 144.94 56.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.833 HD13 ' CG1' ' A' ' 106' ' ' ILE . 7.9 mp -65.2 -11.91 45.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.073 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.493 ' OD2' ' HE2' ' A' ' 58' ' ' LYS . 98.4 m-20 -61.84 -27.53 68.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.566 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 98.0 mttt -64.02 -39.35 93.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.133 0.492 . . . . 0.0 109.924 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.742 ' O ' HD11 ' A' ' 80' ' ' LEU . 87.4 m-85 -80.98 153.73 27.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.35 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.77 ' CA ' HD11 ' A' ' 80' ' ' LEU . 10.7 mpt_? -107.96 -28.3 9.67 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.653 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.653 ' C ' HD12 ' A' ' 117' ' ' ILE . 90.8 t80 -143.08 125.74 15.92 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.052 0.454 . . . . 0.0 111.228 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.966 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -130.89 138.35 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.939 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -135.14 111.49 9.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.979 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.863 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -83.48 148.84 27.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.477 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.659 HG22 ' HB2' ' A' ' 124' ' ' HIS . 26.4 m -129.49 156.44 44.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.066 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 124' ' ' HIS . 63.7 t30 -37.4 148.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.087 0.47 . . . . 0.0 111.283 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 123' ' ' GLU . 3.4 pp -46.77 -31.85 3.27 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.229 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.531 ' N ' HD12 ' A' ' 122' ' ' LEU . 98.9 mt-10 -65.72 -33.63 76.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.659 ' HB2' HG22 ' A' ' 120' ' ' THR . 78.8 m80 -96.46 165.09 12.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.292 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -97.76 170.25 9.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.478 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.996 ' O ' HG23 ' A' ' 139' ' ' VAL . 20.2 tt -108.81 139.98 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.214 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.566 ' HD3' ' NZ ' ' A' ' 137' ' ' LYS . 98.4 mttt -119.8 138.33 53.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.754 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.621 ' SG ' HG13 ' A' ' 117' ' ' ILE . 82.4 m -125.47 145.31 50.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.751 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.481 ' C ' ' HD2' ' A' ' 114' ' ' TYR . 98.6 m-85 -117.81 134.58 54.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.165 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.544 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 83.7 m-85 -63.64 -41.94 98.2 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.992 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.596 ' HE3' ' HZ1' ' A' ' 134' ' ' LYS . 99.6 mttt -117.24 8.84 13.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.017 0.436 . . . . 0.0 110.345 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.509 ' HA2' ' HB3' ' A' ' 116' ' ' PHE . . . 91.79 -13.34 67.04 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 83.5 t80 -162.35 116.09 1.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.596 ' HZ1' ' HE3' ' A' ' 131' ' ' LYS . 39.6 ttmt 174.65 161.21 0.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.831 0.348 . . . . 0.0 110.613 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.506 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 11.8 t -68.23 -13.58 62.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.171 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.497 ' O ' ' HD1' ' A' ' 130' ' ' TYR . 99.7 mttt -96.83 118.39 33.16 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.422 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.566 ' NZ ' ' HD3' ' A' ' 127' ' ' LYS . 20.8 ptmt -151.25 158.4 43.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.541 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.569 ' CD ' ' NZ ' ' A' ' 105' ' ' LYS . 88.8 tt0 -119.86 129.86 54.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.459 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.3 p -135.83 141.47 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.69 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.685 HD12 ' CG2' ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.574 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.628 0.252 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 54.2 tp10 -61.63 -46.28 90.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 110.738 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -80.39 -28.42 37.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.636 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.52 98.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.72 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 20.9 pt20 -70.8 -30.48 66.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.965 0.412 . . . . 0.0 110.239 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.643 ' O ' HD13 ' A' ' 33' ' ' LEU . 78.7 mm-40 -63.43 -38.58 91.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.58 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 98.4 mtp -61.23 -39.12 89.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 98.4 m-20 -60.3 -40.91 92.2 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.494 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.548 ' HD3' ' O ' ' A' ' 28' ' ' GLN . 12.5 mpt_? -64.5 -41.65 96.32 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.615 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 29' ' ' GLU . 11.0 mp -64.35 -45.54 87.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.7 pt-20 -65.87 -29.21 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.591 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.51 -46.3 90.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.398 . . . . 0.0 110.053 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.743 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -62.88 -40.21 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.701 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.193 ' CG ' HD11 ' A' ' 45' ' ' LEU . 65.1 m-85 -64.33 -36.67 84.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' OE1' ' OD1' ' A' ' 39' ' ' ASN . 16.7 tm-20 -60.06 -39.89 87.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.425 ' OD1' ' OE1' ' A' ' 38' ' ' GLU . 75.4 m-20 -96.94 6.64 48.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.454 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -104.16 94.55 5.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 98.8 m-20 -64.4 140.51 58.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.032 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 81.1 9.21 86.45 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.667 ' CZ3' ' NZ ' ' A' ' 54' ' ' LYS . 76.0 m95 -117.65 133.91 55.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.667 0.27 . . . . 0.0 110.275 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 78.9 m-85 -140.0 148.69 42.23 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.356 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.193 HD11 ' CG ' ' A' ' 37' ' ' PHE . 2.7 mp -123.44 143.37 50.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.258 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.9 p -120.48 137.83 54.14 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.713 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.6 p -70.28 -35.61 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.078 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.53 -46.28 90.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.292 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.634 ' O ' ' C ' ' A' ' 50' ' ' ASP . 58.1 mtmt -117.8 38.56 3.6 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.901 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.0 m-20 0.8 69.51 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.504 0.503 . . . . 0.0 111.049 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.602 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.6 t -150.02 152.18 34.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.581 ' HB1' ' CE2' ' A' ' 37' ' ' PHE . . . -108.39 144.18 36.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.443 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.4 p90 -147.5 161.45 41.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.344 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.766 ' NZ ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -143.61 149.26 37.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -114.34 125.51 53.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.778 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.603 ' CE1' ' HG3' ' A' ' 54' ' ' LYS . 96.4 m-85 -104.71 -5.48 21.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 110.153 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.08 -9.38 74.99 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.587 ' NZ ' ' H ' ' A' ' 112' ' ' ASP . 66.0 tttm -113.35 -41.82 3.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 110.537 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.73 ' CE2' HD12 ' A' ' 111' ' ' LEU . 54.8 p90 -150.59 160.52 43.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.643 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 88.7 tt0 -109.93 130.34 55.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 111.226 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.593 HG23 ' CD1' ' A' ' 59' ' ' TYR . 48.5 pt -127.64 138.89 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.242 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.547 ' O ' HD12 ' A' ' 63' ' ' LEU . 10.5 ptm85 -132.55 156.21 47.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.03 0.443 . . . . 0.0 110.883 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.071 HD11 HD12 ' A' ' 84' ' ' ILE . 7.4 mp -116.67 149.38 39.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.559 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.0 p -149.39 163.06 38.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.573 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -72.42 -162.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.517 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -58.72 -47.01 86.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.06 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--N 1.327 -0.375 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.214 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.589 ' NH2' ' OD2' ' A' ' 112' ' ' ASP . 29.6 mmm180 -83.03 157.88 22.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.327 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.969 HD23 ' O ' ' A' ' 114' ' ' TYR . 2.2 tm? -58.84 129.16 40.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.978 0.418 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.906 ' N ' HD13 ' A' ' 80' ' ' LEU . 87.2 mt -116.8 127.71 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.541 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.985 HG13 HG22 ' A' ' 117' ' ' ILE . 85.7 t -112.31 120.23 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -96.71 108.66 21.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.289 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.071 HD12 HD11 ' A' ' 63' ' ' LEU . 83.3 mt -99.54 122.97 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.999 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.39 120.33 40.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.395 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.587 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -159.47 153.4 23.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.507 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.0 m -69.79 147.92 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.25 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.565 ' HB2' HD21 ' A' ' 33' ' ' LEU . 18.9 ptpt -60.72 -28.14 68.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.532 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.56 -42.86 98.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.436 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -105.13 20.81 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.735 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.871 ' CE1' HD23 ' A' ' 63' ' ' LEU . 90.7 t80 -58.19 -48.35 80.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.765 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 67.3 t -61.42 -45.38 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.191 0.519 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.31 -39.6 91.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.012 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.827 HG22 ' O ' ' A' ' 91' ' ' PHE . 4.9 tp -61.6 -28.4 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.818 0.342 . . . . 0.0 110.173 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.66 HD12 ' CH2' ' A' ' 43' ' ' TRP . 33.7 mm -60.66 -47.17 94.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.684 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 100' ' ' ASP . 97.0 mt-10 -65.7 -43.86 87.88 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.96 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.635 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 9.2 m120 -70.54 -39.5 73.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.697 ' NZ ' HG11 ' A' ' 82' ' ' VAL . 5.9 tmtt? -82.43 -49.75 9.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 0.0 111.496 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.094 HD22 HD11 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -59.4 -40.01 85.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.39 -178.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.568 ' CG ' ' O ' ' A' ' 96' ' ' GLU . 99.2 m-20 -62.2 -38.64 89.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.802 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.998 ' HD2' HG21 ' A' ' 140' ' ' ILE . 75.1 mmtt -64.33 -39.67 94.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 1.094 HD11 HD22 ' A' ' 99' ' ' LEU . 42.1 pt -73.6 -34.68 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.554 HG12 ' CD1' ' A' ' 99' ' ' LEU . 28.8 mm -62.31 -44.66 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 110.212 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.494 ' O ' ' HE2' ' A' ' 108' ' ' LYS . 88.9 tt0 -63.12 -41.89 99.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.861 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.541 ' O ' HD23 ' A' ' 109' ' ' LEU . 73.9 mmtt -62.37 -40.18 95.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.266 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.604 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 76.0 mt -61.7 -46.31 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.353 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.85 -43.98 97.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.951 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.494 ' HE2' ' O ' ' A' ' 104' ' ' GLU . 1.2 mppt? -83.26 -30.49 27.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.106 0.479 . . . . 0.0 110.373 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.693 HD11 ' HE1' ' A' ' 114' ' ' TYR . 1.1 pt? -150.11 177.25 10.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.764 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.536 ' HB2' ' HG2' ' A' ' 113' ' ' LYS . 98.4 m-20 -102.33 132.03 48.56 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.159 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.73 HD12 ' CE2' ' A' ' 59' ' ' TYR . 89.1 mt -63.82 -35.42 80.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.311 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.589 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 98.7 m-20 -59.97 -18.37 45.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.61 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.536 ' HG2' ' HB2' ' A' ' 110' ' ' ASP . 73.2 mmtt -63.96 -39.2 93.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.123 0.487 . . . . 0.0 109.973 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.969 ' O ' HD23 ' A' ' 80' ' ' LEU . 56.9 m-85 -79.45 147.05 32.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.162 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.582 ' C ' ' CD2' ' A' ' 80' ' ' LEU . 41.5 mmt180 -104.04 -21.8 13.54 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.68 ' C ' HD12 ' A' ' 117' ' ' ILE . 87.8 t80 -145.99 125.31 13.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.108 0.48 . . . . 0.0 111.411 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.985 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -133.36 139.78 48.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.707 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.519 ' O ' ' HB ' ' A' ' 126' ' ' ILE . 66.7 t30 -133.45 113.03 12.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.888 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.032 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -82.26 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.171 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.543 ' H ' HG22 ' A' ' 126' ' ' ILE . 62.6 p -126.57 161.39 28.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.513 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.581 ' O ' ' O ' ' A' ' 124' ' ' HIS . 99.2 m-20 -47.82 173.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.42 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.5 -39.15 86.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.418 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.0 -35.0 79.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.405 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.581 ' O ' ' O ' ' A' ' 121' ' ' ASN . 79.9 m80 -100.83 151.11 22.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.442 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.3 m-20 -99.51 168.87 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.585 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.921 HD13 ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -108.67 168.36 3.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.24 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.515 ' NZ ' ' OH ' ' A' ' 129' ' ' TYR . 0.3 OUTLIER -144.0 154.53 43.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.135 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.653 ' SG ' ' CG1' ' A' ' 117' ' ' ILE . 83.6 m -121.55 147.59 45.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.714 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.56 ' CD1' ' HD2' ' A' ' 116' ' ' PHE . 97.3 m-85 -116.03 134.74 54.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.005 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.601 ' CD2' ' HD3' ' A' ' 131' ' ' LYS . 74.3 t80 -60.27 -48.18 82.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.578 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.601 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 0.1 OUTLIER -117.32 10.76 13.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.408 . . . . 0.0 110.42 179.37 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.542 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 91.16 -12.42 69.23 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.527 ' O ' ' HG2' ' A' ' 134' ' ' LYS . 87.2 t80 -161.75 116.44 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 133' ' ' PHE . 14.5 mmtt 171.44 164.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.887 0.375 . . . . 0.0 110.777 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.4 t -68.98 -21.06 64.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.531 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -91.05 118.46 30.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 26.3 pttm -150.99 159.18 44.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.421 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.507 ' HG3' ' OH ' ' A' ' 114' ' ' TYR . 79.7 mm-40 -113.13 145.34 41.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.384 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 11.4 p -136.74 140.91 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.674 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.998 HG21 ' HD2' ' A' ' 101' ' ' LYS . 84.8 mt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.072 -0.965 . . . . 0.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 61.1 ttp180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.732 0.301 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 79.2 mm-40 -66.61 -40.42 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.044 0.45 . . . . 0.0 110.399 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.67 -47.5 85.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.579 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.553 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -62.25 -40.31 95.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.583 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 98.5 mm-40 -63.02 -39.44 94.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.602 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.732 ' O ' HD13 ' A' ' 33' ' ' LEU . 78.7 mm-40 -63.37 -39.43 94.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.15 -47.95 83.76 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.869 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.583 ' OD1' ' O ' ' A' ' 28' ' ' GLN . 6.9 p-10 -70.05 -34.64 73.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.491 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.496 HH21 ' CB ' ' A' ' 35' ' ' LYS . 8.9 tpm_? -61.3 -46.06 91.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.739 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 29' ' ' GLU . 9.0 mp -63.98 -44.26 93.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.736 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.3 pt-20 -64.01 -34.94 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.037 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 98.1 mttt -64.31 -40.49 96.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.993 0.425 . . . . 0.0 110.349 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.925 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -62.68 -40.62 97.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.0 ' CD1' HD11 ' A' ' 45' ' ' LEU . 72.1 m-85 -64.85 -38.34 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.535 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.22 -41.3 96.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.369 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -92.98 10.07 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.449 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -102.7 95.31 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.526 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.08 140.74 58.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.715 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.563 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.97 2.46 90.57 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.605 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 93.7 m95 -118.91 139.58 51.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.926 0.393 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 81.6 m-85 -137.41 149.53 46.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.948 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.0 HD11 ' CD1' ' A' ' 37' ' ' PHE . 90.2 mt -112.3 141.52 45.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.433 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.3 t -114.98 128.61 56.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.395 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.6 m -65.1 -40.86 95.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.205 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.18 -46.18 89.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.941 0.4 . . . . 0.0 109.995 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.63 ' O ' ' N ' ' A' ' 51' ' ' SER . 38.4 ttpt -121.89 61.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.636 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.553 ' C ' ' O ' ' A' ' 49' ' ' LYS . 99.2 m-20 -24.4 85.8 0.0 OUTLIER 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.82 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.1 p -159.07 163.7 36.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.471 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.815 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -117.27 145.23 44.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.514 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.537 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 52.2 p90 -149.03 160.21 43.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.876 0.369 . . . . 0.0 110.719 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.605 ' HE3' ' CE2' ' A' ' 43' ' ' TRP . 41.5 ttmt -116.07 129.83 56.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.173 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -90.98 99.63 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.629 ' CD2' ' OH ' ' A' ' 59' ' ' TYR . 0.6 OUTLIER -84.64 -20.03 31.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.295 179.216 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.72 -11.18 72.84 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' O ' ' NE ' ' A' ' 79' ' ' ARG . 57.2 mtmt -115.24 -30.43 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.116 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.803 ' CZ ' HD22 ' A' ' 111' ' ' LEU . 55.3 p90 -156.3 161.67 40.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.11 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 88.9 tt0 -114.87 128.69 56.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 111.109 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.571 HG23 ' CD1' ' A' ' 59' ' ' TYR . 47.3 pt -127.42 137.76 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.158 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.712 HH12 HG21 ' A' ' 81' ' ' ILE . 10.8 ptp85 -139.81 158.28 44.35 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.164 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.553 HD11 HD13 ' A' ' 84' ' ' ILE . 10.2 mp -110.93 149.5 30.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.103 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 91.4 p -147.33 163.06 37.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.783 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.473 ' CG ' ' H ' ' A' ' 66' ' ' HIS . 2.1 t-20 -56.77 -163.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.557 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.528 ' O ' ' HD2' ' A' ' 85' ' ' LYS . 53.8 p-80 -62.69 -19.82 64.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.265 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.9 p . . . . . 0 C--N 1.329 -0.284 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.894 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.442 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 78' ' ' GLY . 30.4 mmm180 -126.25 156.54 40.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.464 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.039 HD12 ' O ' ' A' ' 111' ' ' LEU . 3.0 tt -56.97 128.37 36.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.628 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.02 ' N ' HD23 ' A' ' 80' ' ' LEU . 87.9 mt -119.18 124.83 73.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.28 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.03 HG13 HG22 ' A' ' 117' ' ' ILE . 97.2 t -118.18 124.5 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.381 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.517 ' OD1' ' HG2' ' A' ' 62' ' ' ARG . 98.2 m-20 -110.91 135.18 51.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.237 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.595 ' HA ' ' HB3' ' A' ' 119' ' ' ALA . 2.5 mp -119.82 126.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.803 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.551 ' O ' ' OD1' ' A' ' 121' ' ' ASN . 37.7 mtmm -99.69 128.18 45.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.418 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.533 ' HA ' ' OD1' ' A' ' 121' ' ' ASN . . . -159.28 154.55 25.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.693 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.5 t -63.71 141.93 58.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.283 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HB2' HD21 ' A' ' 33' ' ' LEU . 9.7 ptpp? -58.87 -29.41 66.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.539 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.607 HD23 ' OE1' ' A' ' 29' ' ' GLU . 87.1 mt -64.43 -39.37 93.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.0 0.428 . . . . 0.0 110.187 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -105.29 20.22 19.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.624 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CZ ' ' CZ ' ' A' ' 37' ' ' PHE . 86.7 t80 -58.24 -49.2 77.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.881 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 1.049 ' O ' HG22 ' A' ' 95' ' ' ILE . 59.0 t -62.79 -44.01 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.134 0.492 . . . . 0.0 110.496 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.13 -40.35 93.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.327 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 91' ' ' PHE . 3.9 tp -58.81 -33.37 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.018 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 1.049 HG22 ' O ' ' A' ' 92' ' ' VAL . 15.6 tt -62.71 -36.92 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.535 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.72 -47.84 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.564 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 50.8 t30 -71.77 -45.64 61.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.619 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.59 ' NZ ' ' CD1' ' A' ' 126' ' ' ILE . 58.1 tptt -64.55 -42.9 95.41 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.393 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 95' ' ' ILE . 3.5 mm? -57.57 -42.06 82.32 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.336 -0.545 . . . . 0.0 109.626 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.74 -39.37 93.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.256 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.751 ' HD2' HD13 ' A' ' 140' ' ' ILE . 75.9 mmtt -63.15 -39.0 93.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.032 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.562 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.28 -41.61 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.867 -179.122 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.796 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.0 mm -61.72 -46.53 96.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.173 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.51 -43.44 90.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.042 0.449 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.587 ' CE ' HD11 ' A' ' 140' ' ' ILE . 74.5 mmtt -64.25 -40.49 96.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.32 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.796 HG22 ' O ' ' A' ' 103' ' ' ILE . 20.2 tt -66.46 -32.16 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.71 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.59 -40.39 96.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.028 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -74.35 -39.5 62.74 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.176 0.513 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.159 HD11 ' CE1' ' A' ' 114' ' ' TYR . 1.2 pp -157.68 154.2 27.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.846 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.725 ' O ' HD12 ' A' ' 109' ' ' LEU . 99.3 m-20 -66.16 145.84 55.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.54 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 1.039 ' O ' HD12 ' A' ' 80' ' ' LEU . 7.4 mp -62.91 -39.71 95.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.739 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.56 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 61.8 t0 -51.34 -14.67 0.3 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.569 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.416 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 33.5 mmtp -65.42 -37.18 86.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.3 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 1.159 ' CE1' HD11 ' A' ' 109' ' ' LEU . 70.6 m-85 -96.93 129.47 44.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.852 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.552 ' HD3' ' O ' ' A' ' 131' ' ' LYS . 78.3 ttt-85 -64.73 -43.63 92.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.984 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 118' ' ' ASN . 93.8 t80 -150.31 134.29 16.9 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.161 0.505 . . . . 0.0 111.994 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 1.03 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -126.89 138.31 55.22 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.333 178.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.587 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 66.4 t30 -131.18 112.03 12.46 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.699 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -82.01 153.3 26.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.148 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.584 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 68.0 p -127.92 162.05 27.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.232 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.551 ' OD1' ' O ' ' A' ' 85' ' ' LYS . 87.4 m-20 -52.73 149.92 5.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.169 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 123' ' ' GLU . 2.0 pp -46.17 -30.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.34 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.491 ' N ' HD12 ' A' ' 122' ' ' LEU . 88.7 tt0 -66.45 -35.06 79.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 121' ' ' ASN . 99.1 m-70 -102.21 164.94 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.567 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.584 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.2 m-20 -97.74 165.99 11.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.59 ' CD1' ' NZ ' ' A' ' 98' ' ' LYS . 18.7 tt -108.34 141.35 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.543 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 127' ' ' LYS . 2.2 mmmm -119.0 152.06 37.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.6 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.998 ' SG ' HD11 ' A' ' 117' ' ' ILE . 53.6 t -134.85 128.9 33.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -112.16 136.28 51.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.318 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -60.05 -49.52 77.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.761 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.572 ' HE2' ' CZ ' ' A' ' 133' ' ' PHE . 17.1 ptmt -118.04 19.14 13.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.002 0.43 . . . . 0.0 110.432 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.35 -18.88 55.39 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.572 ' CZ ' ' HE2' ' A' ' 131' ' ' LYS . 52.0 p90 -163.26 128.9 3.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 133' ' ' PHE . 6.1 mmmt 170.57 165.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.566 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.3 p -68.69 -23.04 64.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.843 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -93.8 119.29 32.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.449 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -150.7 158.46 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.592 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.507 ' OE2' ' HD2' ' A' ' 105' ' ' LYS . 88.8 tt0 -112.91 129.44 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.191 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.2 140.85 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 110.764 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.751 HD13 ' HD2' ' A' ' 101' ' ' LYS . 82.9 mt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.735 0.302 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -61.88 -39.95 93.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -65.28 -39.38 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.467 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.99 96.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -62.97 -40.94 99.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.385 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 98.7 mt-10 -63.2 -39.28 94.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.495 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.49 ' SD ' ' C ' ' A' ' 30' ' ' MET . 19.4 tmm? -60.66 -44.55 96.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.548 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.25 -47.15 87.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 110.124 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -61.78 -44.1 97.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.693 HD21 ' CE1' ' A' ' 37' ' ' PHE . 7.8 tt -61.4 -44.53 96.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.468 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.95 -40.96 97.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.564 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.09 -43.74 95.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.702 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.517 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.84 -39.96 91.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.412 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.064 ' CD1' HD11 ' A' ' 45' ' ' LEU . 43.3 m-85 -67.57 -33.45 75.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.991 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.89 -40.77 89.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.318 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -97.78 7.56 46.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.639 HD12 ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -101.13 98.33 8.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.849 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.8 t0 -66.93 134.71 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.769 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 92.19 -1.06 72.91 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.667 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.663 ' CH2' HD11 ' A' ' 63' ' ' LEU . 95.0 m95 -118.36 138.0 52.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.999 0.428 . . . . 0.0 110.942 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -137.68 148.56 45.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.577 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.064 HD11 ' CD1' ' A' ' 37' ' ' PHE . 93.5 mt -118.17 137.95 52.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 70.8 m -119.15 129.7 55.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.098 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.528 ' HA ' ' OD1' ' A' ' 50' ' ' ASP . 92.7 p -67.04 -37.67 84.52 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.083 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.96 -45.27 95.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.622 ' O ' ' C ' ' A' ' 50' ' ' ASP . 24.5 mmmt -118.57 39.57 3.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.369 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.4 m-20 -8.74 77.97 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.617 0.573 . . . . 0.0 110.798 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.8 t -152.74 149.33 28.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.067 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.813 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -111.35 141.87 44.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.351 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' HB2' ' OE2' ' A' ' 60' ' ' GLU . 53.3 p90 -150.31 160.05 44.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.964 0.412 . . . . 0.0 111.179 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.632 ' HE3' ' CE2' ' A' ' 43' ' ' TRP . 41.8 ttmt -119.32 129.98 55.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.957 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -94.79 126.69 40.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.951 0.405 . . . . 0.0 111.269 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.776 ' CD1' ' CZ ' ' A' ' 59' ' ' TYR . 98.1 m-85 -108.92 -14.74 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.879 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.46 -10.87 73.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -115.46 -31.98 5.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.87 0.367 . . . . 0.0 110.357 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.776 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 51.3 p90 -152.57 162.64 40.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.53 ' OE2' ' HB2' ' A' ' 53' ' ' TYR . 16.6 tm-20 -118.41 130.46 55.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.91 0.386 . . . . 0.0 111.051 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.606 HG23 ' CD1' ' A' ' 59' ' ' TYR . 44.8 pt -126.74 137.11 58.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.228 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.508 ' HB3' ' HB3' ' A' ' 53' ' ' TYR . 41.2 ptt180 -140.4 157.68 45.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.434 . . . . 0.0 111.077 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.775 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.1 mp -115.24 149.42 37.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.167 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.6 p -148.42 164.75 33.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.941 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.587 ' OD1' ' NZ ' ' A' ' 88' ' ' LYS . 61.1 t30 -56.82 177.62 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.323 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.493 ' HE2' ' HB3' ' A' ' 87' ' ' SER . 96.1 m-70 -62.0 -38.89 90.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.165 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.454 -0.251 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.66 179.556 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -126.27 157.18 38.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.753 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.2 OUTLIER -55.73 140.62 41.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.499 ' H ' HD13 ' A' ' 80' ' ' LEU . 1.5 mp -107.48 128.42 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.082 0.468 . . . . 0.0 110.991 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.863 HG22 ' CG1' ' A' ' 117' ' ' ILE . 48.0 t -124.46 124.82 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.551 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.545 ' HB2' ' OD1' ' A' ' 118' ' ' ASN . 85.3 m-20 -107.93 126.33 52.56 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.748 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.817 HG12 ' HB3' ' A' ' 119' ' ' ALA . 85.5 mt -117.62 127.69 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.468 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.555 ' HD2' ' O ' ' A' ' 65' ' ' ASN . 49.7 mmtm -95.67 128.92 42.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.646 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.719 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . . . -160.22 147.7 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.773 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.587 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.5 p -73.49 161.78 30.0 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.587 ' NZ ' ' OD1' ' A' ' 65' ' ' ASN . 13.3 mptt -62.44 -41.85 99.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.604 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.85 -40.78 92.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -104.25 13.32 32.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.734 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.607 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 88.1 t80 -59.14 -49.39 78.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.803 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.821 ' HA ' HD12 ' A' ' 95' ' ' ILE . 7.5 p -70.66 -33.49 53.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.588 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.04 -40.17 94.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.719 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 7.1 tt -65.0 -29.12 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.992 0.425 . . . . 0.0 109.955 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.821 HD12 ' HA ' ' A' ' 92' ' ' VAL . 88.9 mt -61.42 -42.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.22 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.16 -45.03 94.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.645 ' ND2' HD21 ' A' ' 122' ' ' LEU . 6.0 p30 -81.56 -41.04 22.18 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.542 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.558 ' CG ' HG12 ' A' ' 94' ' ' ILE . 47.8 mmtm -64.82 -40.12 94.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.979 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 95' ' ' ILE . 8.1 mp -62.81 -42.01 99.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.113 0.482 . . . . 0.0 109.824 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -63.65 -40.8 97.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 74.8 mmtt -63.77 -39.54 94.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.701 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.58 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 44.1 pt -74.18 -38.03 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.937 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 99' ' ' LEU . 28.4 mm -62.49 -44.77 99.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.826 0.346 . . . . 0.0 110.481 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.66 -42.73 99.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.105 0.478 . . . . 0.0 109.916 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.799 ' HE3' HD12 ' A' ' 140' ' ' ILE . 98.1 mttt -62.65 -39.95 95.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.512 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.584 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 77.3 mt -61.63 -47.44 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.69 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.53 -41.41 98.48 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.377 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 108' ' ' LYS . 35.5 mmtp -74.99 -36.61 61.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.306 0.574 . . . . 0.0 109.975 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 2.6 pp -152.95 174.5 14.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.845 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.522 ' HB2' ' HG3' ' A' ' 113' ' ' LYS . 99.3 m-20 -95.87 126.69 41.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.054 0.454 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.54 ' CD1' HG13 ' A' ' 106' ' ' ILE . 90.5 mt -63.57 -38.26 90.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.506 ' OD1' ' HB3' ' A' ' 110' ' ' ASP . 58.9 p30 -60.76 -13.99 18.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.852 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.522 ' HG3' ' HB2' ' A' ' 110' ' ' ASP . 29.5 mtpp -64.61 -38.85 92.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.319 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.753 ' O ' HD11 ' A' ' 80' ' ' LEU . 30.3 m-85 -74.42 125.07 27.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.065 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.56 ' HD3' ' CA ' ' A' ' 131' ' ' LYS . 83.1 mtp180 -63.76 -39.33 94.01 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.117 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -147.93 122.15 9.57 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.994 0.426 . . . . 0.0 111.323 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.863 ' CG1' HG22 ' A' ' 82' ' ' VAL . 29.8 pt -130.77 150.49 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.549 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.545 ' OD1' ' HB2' ' A' ' 83' ' ' ASN . 50.0 t30 -148.73 117.07 6.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.044 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.817 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.64 155.63 23.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.656 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.58 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 70.8 p -127.95 161.42 29.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.989 0.423 . . . . 0.0 110.785 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.517 ' O ' ' O ' ' A' ' 120' ' ' THR . 82.4 m-20 -40.77 167.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.127 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.645 HD21 ' ND2' ' A' ' 97' ' ' ASN . 92.6 mt -60.94 -40.95 95.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.293 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.22 -34.41 77.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.123 0.487 . . . . 0.0 110.045 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.496 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 65.5 m170 -80.3 162.82 24.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.58 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.9 m-20 -98.18 155.56 17.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 1.062 ' O ' HG23 ' A' ' 139' ' ' VAL . 13.7 tt -108.82 135.86 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.028 0.442 . . . . 0.0 110.942 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.585 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 10.2 mptt -124.65 149.93 46.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.557 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.714 ' SG ' ' CG ' ' A' ' 114' ' ' TYR . 52.1 t -133.35 126.29 31.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.482 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -108.4 127.42 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.172 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.511 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 72.6 t80 -59.88 -48.78 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.524 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.56 ' CA ' ' HD3' ' A' ' 115' ' ' ARG . 99.5 mttt -110.93 9.16 22.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.312 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.482 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.15 -12.86 68.52 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -178.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -161.23 116.13 2.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 171.09 165.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.902 0.382 . . . . 0.0 110.769 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 96.0 m -66.76 -40.98 88.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.165 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -71.47 119.0 14.99 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.982 0.42 . . . . 0.0 110.701 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -151.4 158.42 43.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.464 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 128' ' ' CYS . 52.8 tp10 -114.4 126.17 54.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.009 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 1.062 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.1 p -133.97 142.97 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.815 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.799 HD12 ' HE3' ' A' ' 105' ' ' LYS . 93.3 mt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.543 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.834 0.35 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.33 -41.02 98.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.476 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.705 ' CE2' ' SD ' ' A' ' 30' ' ' MET . 91.0 t80 -59.48 -47.73 84.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.813 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.81 92.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.829 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -63.53 -39.63 94.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.432 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.672 ' CD ' HD23 ' A' ' 89' ' ' LEU . 54.4 tp10 -61.51 -42.14 98.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.395 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.705 ' SD ' ' CE2' ' A' ' 26' ' ' TYR . 98.4 mtp -62.37 -40.38 96.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.03 -47.88 84.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.06 0.457 . . . . 0.0 110.075 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -61.97 -44.2 97.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.753 HD21 ' CE1' ' A' ' 37' ' ' PHE . 8.8 tt -61.66 -44.47 96.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.617 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.19 -39.04 91.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.22 -44.57 95.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.932 ' HB3' ' HZ ' ' A' ' 91' ' ' PHE . . . -61.46 -41.08 96.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.709 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.98 ' CG ' HD11 ' A' ' 45' ' ' LEU . 46.1 m-85 -66.2 -35.97 81.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.738 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.92 -41.99 92.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.21 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -93.89 10.01 35.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.355 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.861 HD22 ' CD1' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -102.36 86.25 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.646 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.24 140.24 58.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.361 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.564 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 90.25 -8.95 78.93 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.861 ' CD1' HD22 ' A' ' 40' ' ' LEU . 93.6 m95 -117.53 136.49 53.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.892 0.377 . . . . 0.0 110.46 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 71.3 m-85 -137.89 149.04 45.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.742 -179.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.98 HD11 ' CG ' ' A' ' 37' ' ' PHE . 2.7 mp -120.38 144.64 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.739 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -115.46 129.9 56.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.447 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.5 p -65.86 -37.78 87.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.801 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.67 -40.01 95.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.667 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.623 ' O ' ' C ' ' A' ' 50' ' ' ASP . 38.1 mtmm -116.82 38.93 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.623 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.6 p30 -5.87 75.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.658 0.599 . . . . 0.0 111.145 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.3 p -155.37 164.55 38.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.459 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.412 ' CB ' ' CE2' ' A' ' 37' ' ' PHE . . . -117.22 146.55 43.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.156 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.685 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.2 p90 -149.61 160.29 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.121 0.486 . . . . 0.0 111.216 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.684 ' HB3' HD11 ' A' ' 61' ' ' ILE . 65.1 tttp -133.67 132.5 40.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.246 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 67.8 t0 -114.34 108.23 16.64 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.612 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.654 ' HE1' HD13 ' A' ' 61' ' ' ILE . 76.1 m-85 -80.09 -11.96 59.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.049 0.452 . . . . 0.0 110.182 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 93.34 -10.92 72.6 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -109.81 -29.24 8.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.127 0.489 . . . . 0.0 109.993 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.737 ' CE2' HD12 ' A' ' 111' ' ' LEU . 51.3 p90 -155.47 161.28 40.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.329 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.586 ' O ' HD12 ' A' ' 81' ' ' ILE . 89.0 tt0 -105.7 129.83 53.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.215 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.684 HD11 ' HB3' ' A' ' 54' ' ' LYS . 45.7 pt -127.32 138.75 53.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.788 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 52.5 ptt85 -136.24 156.02 49.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.074 0.464 . . . . 0.0 111.313 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.795 HD11 HD11 ' A' ' 95' ' ' ILE . 88.4 mt -113.45 140.48 48.06 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.549 ' O ' ' O ' ' A' ' 65' ' ' ASN . 48.5 t -148.2 151.34 35.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.337 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.549 ' O ' ' O ' ' A' ' 64' ' ' SER . 53.1 t30 -54.9 -144.77 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.556 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.446 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 95.6 m-70 -60.72 -39.77 89.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.414 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.204 179.494 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.581 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -129.34 158.78 38.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.748 0.308 . . . . 0.0 110.279 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.904 HD21 ' O ' ' A' ' 114' ' ' TYR . 0.1 OUTLIER -55.83 138.0 49.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.273 -179.779 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.66 ' H ' HD13 ' A' ' 80' ' ' LEU . 9.8 tp -129.34 135.62 61.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.966 ' CG2' HD11 ' A' ' 117' ' ' ILE . 57.2 t -123.0 124.57 70.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.759 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.631 ' ND2' ' OD1' ' A' ' 118' ' ' ASN . 13.0 t30 -98.07 110.34 22.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.425 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.644 ' CD1' ' HB3' ' A' ' 119' ' ' ALA . 47.2 mm -109.96 122.9 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.803 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -87.98 136.8 32.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.423 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.704 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -150.07 157.22 42.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.524 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.596 ' O ' ' N ' ' A' ' 91' ' ' PHE . 67.1 m -97.88 140.68 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 58.4 mtmt -62.55 -39.3 93.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.672 HD23 ' CD ' ' A' ' 29' ' ' GLU . 89.0 mt -62.9 -39.75 95.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.558 ' ND2' ' HB3' ' A' ' 93' ' ' ASP . 57.0 t30 -127.07 37.8 4.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.806 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.932 ' HZ ' ' HB3' ' A' ' 36' ' ' ALA . 19.3 p90 -66.59 -31.9 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.263 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' ' 93' ' ' ASP . 7.8 p -71.44 -43.71 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.558 ' HB3' ' ND2' ' A' ' 90' ' ' ASN . 67.3 t0 -62.65 -42.04 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.754 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.842 HG22 ' O ' ' A' ' 91' ' ' PHE . 14.2 tt -59.51 -29.3 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.528 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 63' ' ' LEU . 30.7 mm -61.86 -44.29 98.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.0 111.018 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.49 -40.79 97.83 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 31.8 m120 -84.99 -49.89 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.86 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.753 ' NZ ' ' HB1' ' A' ' 119' ' ' ALA . 30.3 mmmt -64.73 -41.0 96.27 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.477 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.587 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 8.5 tt -61.69 -40.16 94.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.066 0.46 . . . . 0.0 109.954 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -60.93 -38.49 86.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.349 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 50.0 mmtm -62.66 -40.02 95.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.071 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.78 ' N ' HD13 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -77.24 -39.63 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -178.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.879 ' O ' HG22 ' A' ' 106' ' ' ILE . 33.3 mm -61.59 -46.08 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.501 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -65.5 -42.48 92.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.051 0.453 . . . . 0.0 110.466 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.5 mtpt -63.47 -40.91 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.251 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.879 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.0 tt -66.3 -28.45 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.77 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.92 -39.71 92.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.609 ' HB2' HD13 ' A' ' 109' ' ' LEU . 58.7 mtmt -73.45 -37.37 65.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.004 0.43 . . . . 0.0 110.056 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.887 HD13 ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -152.1 168.01 26.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.954 -179.811 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -81.55 143.41 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.737 HD12 ' CE2' ' A' ' 59' ' ' TYR . 94.8 mt -67.35 -29.79 69.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.457 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.507 ' HA ' ' HG ' ' A' ' 80' ' ' LEU . 98.5 m-20 -61.95 -19.11 62.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.031 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 109' ' ' LEU . 68.4 mttm -64.47 -38.52 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 110.365 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.904 ' O ' HD21 ' A' ' 80' ' ' LEU . 26.7 m-85 -80.81 118.71 22.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.98 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.549 ' CG ' ' HA ' ' A' ' 131' ' ' LYS . 27.9 mmm180 -63.36 -39.81 95.55 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -150.33 120.87 7.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.876 0.37 . . . . 0.0 111.073 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.966 HD11 ' CG2' ' A' ' 82' ' ' VAL . 31.7 pt -128.66 150.37 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.71 178.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.631 ' OD1' ' ND2' ' A' ' 83' ' ' ASN . 48.4 t30 -148.42 112.35 5.14 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.648 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.753 ' HB1' ' NZ ' ' A' ' 98' ' ' LYS . . . -90.04 156.28 18.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.011 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.578 ' O ' ' O ' ' A' ' 121' ' ' ASN . 69.1 p -124.59 161.51 26.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.578 ' O ' ' O ' ' A' ' 120' ' ' THR . 83.6 m-20 -39.34 170.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.779 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.58 -39.95 89.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.571 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.58 -34.42 77.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.057 0.456 . . . . 0.0 109.79 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.559 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 80.1 m80 -81.3 164.57 22.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.46 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.497 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.8 m-20 -97.58 160.35 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.352 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 139' ' ' VAL . 17.9 tt -108.95 141.92 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.021 0.438 . . . . 0.0 110.81 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.723 ' NZ ' ' CZ ' ' A' ' 129' ' ' TYR . 11.2 ptmm? -135.55 150.33 49.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.657 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.706 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 51.4 t -135.24 129.01 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.98 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.723 ' CZ ' ' NZ ' ' A' ' 127' ' ' LYS . 22.1 m-30 -110.61 129.92 55.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.609 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 71.1 t80 -60.75 -49.15 78.66 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.484 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.609 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 99.5 mttt -116.84 3.82 12.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.92 0.391 . . . . 0.0 110.38 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.459 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.5 -14.94 63.56 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.561 ' O ' ' HB3' ' A' ' 134' ' ' LYS . 87.0 t80 -162.53 115.09 1.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.616 ' N ' ' CE ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER 171.83 166.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.195 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 82.8 p -68.7 -18.06 64.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.379 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.498 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 25.4 ttmm -94.1 117.26 29.85 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.14 0.495 . . . . 0.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -150.81 158.32 44.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.373 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -125.52 129.38 49.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.359 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 126' ' ' ILE . 13.2 p -137.89 142.73 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.693 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.556 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.625 0.25 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.03 -44.15 94.81 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.314 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -67.95 -36.33 79.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.356 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.96 91.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -63.27 -39.73 95.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.263 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.777 ' OE2' HD11 ' A' ' 33' ' ' LEU . 16.7 tm-20 -61.85 -40.42 95.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.189 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 60.7 ttm -60.49 -44.54 95.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.457 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.15 -39.77 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.298 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.86 -38.83 92.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.362 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.777 HD11 ' OE2' ' A' ' 29' ' ' GLU . 87.5 mt -61.86 -39.4 91.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.24 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.3 -39.96 94.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.298 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.41 -40.11 95.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.383 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.869 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.36 -39.89 92.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.3 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.624 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 71.1 t80 -58.58 -48.38 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.286 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.97 -38.23 87.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.428 ' C ' HD22 ' A' ' 40' ' ' LEU . 34.3 m120 -94.53 5.84 50.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 36' ' ' ALA . 3.3 mm? -114.45 103.39 11.0 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.889 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -68.03 128.02 34.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.832 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.547 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 80.22 16.69 75.84 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.061 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.624 ' O ' ' CE1' ' A' ' 37' ' ' PHE . 93.7 m95 -118.43 138.28 52.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.993 0.396 . . . . 0.0 110.799 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.591 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 77.5 m-85 -136.86 144.33 43.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.501 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.745 HD23 ' HA ' ' A' ' 52' ' ' ALA . 92.0 mt -121.2 135.7 55.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.821 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.5 p -120.46 137.23 54.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.393 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.4 p -69.43 -37.08 77.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.99 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.471 ' HE3' ' HG3' ' A' ' 49' ' ' LYS . 67.2 ttp -60.89 -45.64 93.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.634 ' O ' ' C ' ' A' ' 50' ' ' ASP . 69.0 mttm -115.87 38.29 3.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.1 t0 -4.48 75.0 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.611 0.569 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.596 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.0 p -155.25 167.15 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.872 ' HB3' HD13 ' A' ' 63' ' ' LEU . . . -108.49 135.54 49.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.633 ' CD2' ' OE2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -110.16 136.92 48.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.481 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.973 ' HD2' HD11 ' A' ' 61' ' ' ILE . 10.6 ttmt -132.93 120.07 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.642 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.562 ' OD1' ' OE1' ' A' ' 60' ' ' GLU . 98.0 m-20 -104.5 122.66 46.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.758 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CE1' ' HE2' ' A' ' 54' ' ' LYS . 1.4 m-30 -113.14 -13.78 12.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.323 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.18 -10.76 73.1 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.176 -1.169 . . . . 0.0 110.176 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 39.8 ttmt -113.04 -41.55 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.097 0.475 . . . . 0.0 110.045 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.473 ' HA ' ' HD2' ' A' ' 79' ' ' ARG . 53.5 p90 -153.41 160.82 42.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.468 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.633 ' OE2' ' CD2' ' A' ' 53' ' ' TYR . 52.2 tp10 -115.33 131.82 56.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.921 0.391 . . . . 0.0 111.001 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 82' ' ' VAL . 48.8 pt -127.31 136.94 59.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.137 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.628 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 20.4 ptp180 -140.28 159.16 42.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.145 HD22 ' CE1' ' A' ' 91' ' ' PHE . 2.5 mp -111.96 147.4 35.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.931 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.544 ' O ' ' O ' ' A' ' 65' ' ' ASN . 43.0 t -146.76 147.86 31.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.544 ' O ' ' O ' ' A' ' 64' ' ' SER . 50.8 t30 -55.9 -149.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.893 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.453 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 86.6 t60 -59.6 -47.19 86.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.486 179.519 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.557 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 45.7 ptt85 -134.76 161.02 36.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.816 HD22 ' N ' ' A' ' 80' ' ' LEU . 2.5 mm? -77.13 146.64 37.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.783 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.464 HG12 HH12 ' A' ' 79' ' ' ARG . 85.9 mt -119.47 129.69 74.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.847 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.057 HG22 ' HB ' ' A' ' 117' ' ' ILE . 68.2 t -109.96 123.57 65.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.26 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.57 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 98.6 m-20 -106.04 120.02 40.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.748 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.758 ' CG1' ' HB3' ' A' ' 119' ' ' ALA . 3.8 mp -119.7 125.11 74.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.428 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -101.69 130.66 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.591 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -159.56 152.52 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.642 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.552 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 40.4 t -65.45 139.7 58.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.266 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.533 ' HD3' ' OE1' ' A' ' 29' ' ' GLU . 19.3 ptpt -61.42 -28.32 69.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.599 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.712 HD23 ' CG ' ' A' ' 29' ' ' GLU . 88.3 mt -64.09 -39.57 94.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.552 ' OD1' ' O ' ' A' ' 87' ' ' SER . 55.3 p30 -103.33 23.28 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.51 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 1.145 ' CE1' HD22 ' A' ' 63' ' ' LEU . 80.5 t80 -58.78 -49.12 78.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.06 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 1.035 ' O ' HG22 ' A' ' 95' ' ' ILE . 68.3 t -62.06 -47.1 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.12 0.486 . . . . 0.0 110.603 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.05 -39.68 93.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.54 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 91' ' ' PHE . 4.3 tp -64.38 -29.84 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.014 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 1.035 HG22 ' O ' ' A' ' 92' ' ' VAL . 14.4 tt -62.81 -37.29 78.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.103 -178.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.574 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 53.6 mp0 -65.16 -44.53 88.25 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.18 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.573 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 58.8 t-20 -74.91 -44.62 47.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.331 . . . . 0.0 111.476 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.81 ' HZ1' HD11 ' A' ' 63' ' ' LEU . 39.6 ttpt -64.03 -43.54 95.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.034 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.9 mp -56.7 -39.97 74.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.087 0.47 . . . . 0.0 109.905 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.42 -38.47 89.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.61 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.851 ' C ' ' HZ3' ' A' ' 105' ' ' LYS . 32.1 mmmt -61.8 -44.16 97.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.248 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 98' ' ' LYS . 2.0 mm -75.18 -41.21 44.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.707 -178.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.718 ' O ' HG22 ' A' ' 106' ' ' ILE . 32.8 mm -61.89 -45.02 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.636 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.58 -44.63 90.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.721 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.851 ' HZ3' ' C ' ' A' ' 101' ' ' LYS . 37.1 mtmm -63.77 -41.2 98.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.09 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.718 HG22 ' O ' ' A' ' 103' ' ' ILE . 17.5 tt -70.42 -32.68 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.78 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.08 -40.43 95.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.22 -36.64 17.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.472 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 105' ' ' LYS . 1.0 OUTLIER -157.21 144.87 18.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.782 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.48 148.9 49.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.557 HD21 HG23 ' A' ' 102' ' ' ILE . 10.9 mp -71.24 -11.82 61.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.109 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.61 ' HA ' HD23 ' A' ' 80' ' ' LEU . 65.9 t0 -59.56 -34.48 72.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.756 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.544 ' HD2' ' N ' ' A' ' 113' ' ' LYS . 14.1 mptt -64.93 -22.29 66.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.701 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.509 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 53.0 m-85 -97.17 111.73 23.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.491 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.565 ' HB3' ' N ' ' A' ' 132' ' ' GLY . 0.0 OUTLIER -63.16 -43.5 98.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.277 179.77 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.51 ' CE2' ' HB2' ' A' ' 118' ' ' ASN . 93.1 t80 -129.08 126.69 39.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 1.057 ' HB ' HG22 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -127.53 133.08 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.397 179.76 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.57 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 65.6 t30 -146.45 112.13 5.62 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.341 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.758 ' HB3' ' CG1' ' A' ' 84' ' ' ILE . . . -82.43 152.95 25.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.342 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 40.0 p -122.97 161.46 24.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.253 -179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.566 ' O ' ' O ' ' A' ' 120' ' ' THR . 22.1 m120 -40.54 171.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.13 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.53 -40.29 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.141 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.02 -34.62 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.135 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.494 ' C ' ' OG1' ' A' ' 120' ' ' THR . 79.7 m80 -87.98 158.53 18.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.577 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.2 m-20 -99.06 168.82 9.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.517 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.787 ' O ' HG23 ' A' ' 139' ' ' VAL . 17.7 tt -108.04 133.29 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.045 0.45 . . . . 0.0 110.409 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.461 ' HG2' ' HB ' ' A' ' 139' ' ' VAL . 46.0 mttm -128.41 145.36 51.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.695 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 31.5 p -136.99 164.26 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.485 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.8 m-85 -117.73 140.26 49.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.241 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -60.06 -49.26 78.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.728 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -117.63 11.64 13.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.483 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.565 ' N ' ' HB3' ' A' ' 115' ' ' ARG . . . 93.96 -15.28 63.48 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.526 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.5 t80 -161.78 116.17 1.93 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 65.0 tttp 174.21 158.88 0.16 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.328 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.468 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 13.1 t -68.23 -7.49 30.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.606 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.479 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 60.3 tptt -101.75 120.68 40.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.967 0.413 . . . . 0.0 110.778 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -150.69 158.78 44.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.343 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -123.77 143.34 50.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.628 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.5 p -141.07 141.26 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.652 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.771 HG22 ' NZ ' ' A' ' 101' ' ' LYS . 90.2 mt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.608 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.73 0.3 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.19 -40.16 95.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.8 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.36 -49.23 78.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.496 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.81 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.648 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -62.38 -41.81 98.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.842 ' OE2' HD21 ' A' ' 89' ' ' LEU . 98.2 mt-10 -63.12 -40.32 97.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.4 -41.11 98.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.57 -41.1 98.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.566 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.448 ' NH2' ' HB ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -62.27 -43.47 98.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.36 179.815 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.23 -42.75 99.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.526 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.89 -39.5 92.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.764 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.1 -46.63 88.97 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.288 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.931 ' O ' HD13 ' A' ' 40' ' ' LEU . . . -62.69 -40.55 97.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.294 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.455 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 89.3 t80 -58.62 -46.86 86.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.307 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.51 -39.28 90.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.101 0.477 . . . . 0.0 110.116 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.816 ' OD1' HD13 ' A' ' 40' ' ' LEU . 31.2 p30 -96.36 13.4 27.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.642 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.931 HD13 ' O ' ' A' ' 36' ' ' ALA . 1.7 mp -109.87 84.35 1.91 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.533 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.459 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 99.1 m-20 -63.89 140.79 58.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.615 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 75.41 19.42 79.45 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.641 ' CZ3' ' NZ ' ' A' ' 54' ' ' LYS . 76.1 m95 -118.31 132.2 56.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.809 0.338 . . . . 0.0 110.685 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.624 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 72.8 m-85 -138.11 128.49 26.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.484 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.629 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -138.52 155.13 48.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.951 0.405 . . . . 0.0 111.233 179.639 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -120.3 131.69 55.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.302 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.8 t -61.29 -43.0 99.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.77 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.2 tpt -60.6 -44.33 96.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.957 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.8 mtmt -107.42 38.52 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.698 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.605 ' C ' ' O ' ' A' ' 49' ' ' LYS . 97.4 m-20 -4.54 73.12 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.639 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.608 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.4 t -151.26 141.98 22.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.148 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 62' ' ' ARG . . . -121.57 145.81 47.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.468 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.624 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.2 p90 -148.44 160.58 42.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.641 ' NZ ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -126.06 146.67 49.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.663 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.572 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 53.3 p-10 -114.47 108.46 16.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 99.0 m-85 -97.34 -6.75 33.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.157 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.6 74.67 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HD2' ' A' ' 79' ' ' ARG . 99.7 mttt -115.41 -28.42 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 1.126 ' CE2' HD21 ' A' ' 111' ' ' LEU . 52.4 p90 -157.97 161.03 38.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.996 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 89.0 tt0 -114.76 125.6 53.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.728 HG22 ' HB ' ' A' ' 82' ' ' VAL . 47.1 pt -130.81 137.9 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.451 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' A' ' 53' ' ' TYR . 20.1 ptp180 -140.12 157.13 46.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 111.08 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 86' ' ' ALA . 8.6 mp -112.45 133.2 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.254 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.525 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 67.1 m -133.03 177.38 7.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.55 ' OD1' ' N ' ' A' ' 67' ' ' SER . 47.6 p30 -72.15 -169.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.458 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.46 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 32.4 p80 -56.36 -24.55 44.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.504 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.55 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 78.7 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.962 0.41 . . . . 0.0 110.248 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.466 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.535 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 22.8 tpp85 -127.2 150.31 49.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.899 HD23 ' NH2' ' A' ' 115' ' ' ARG . 0.1 OUTLIER -54.97 128.48 33.71 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.319 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 80' ' ' LEU . 89.2 mt -119.28 130.99 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.431 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.985 ' CG2' HD11 ' A' ' 117' ' ' ILE . 59.9 t -114.28 122.6 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.647 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.557 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 33.0 m120 -104.65 119.45 39.03 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.638 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.631 HG12 ' HB3' ' A' ' 119' ' ' ALA . 86.4 mt -123.35 128.11 74.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.807 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 64' ' ' SER . 99.3 mttt -76.75 136.15 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.706 -0.398 . . . . 0.0 109.967 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.683 ' CB ' HG21 ' A' ' 94' ' ' ILE . . . -153.78 159.44 41.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.046 0.451 . . . . 0.0 111.125 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.7 t -119.47 147.93 43.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.982 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.71 -40.46 92.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.64 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.842 HD21 ' OE2' ' A' ' 29' ' ' GLU . 7.6 mp -63.87 -39.94 95.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 110.417 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -110.23 23.8 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.583 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.649 ' O ' HG22 ' A' ' 94' ' ' ILE . 93.3 t80 -58.4 -48.52 80.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.74 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 95' ' ' ILE . 58.3 t -62.33 -43.59 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 110.274 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -62.52 -43.65 98.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.681 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.902 HD11 ' HZ1' ' A' ' 98' ' ' LYS . 6.3 tp -64.36 -36.42 77.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.105 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 43.9 pt -73.19 -25.96 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.504 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -64.05 -43.72 94.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.636 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -88.5 -45.73 9.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.431 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.902 ' HZ1' HD11 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -64.48 -40.82 96.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.38 -179.313 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.584 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 8.5 tt -68.24 -40.91 81.86 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.654 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.3 -41.54 96.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.608 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.644 ' NZ ' ' HB2' ' A' ' 119' ' ' ALA . 39.5 pttt -61.93 -32.39 72.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.024 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.591 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 99.1 mt -68.48 -44.42 83.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.098 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 103' ' ' ILE . 34.9 mm -62.11 -47.61 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.37 -44.93 93.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.623 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.598 ' HD3' ' CE1' ' A' ' 114' ' ' TYR . 41.2 ttmt -62.03 -45.16 94.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.403 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.585 HD11 HD23 ' A' ' 111' ' ' LEU . 79.6 mt -62.02 -42.61 95.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.555 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.05 -38.54 83.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.688 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -94.1 -27.69 16.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.164 0.507 . . . . 0.0 109.993 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.905 HD11 ' HG3' ' A' ' 113' ' ' LYS . 24.8 tp -154.88 129.06 8.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.003 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.55 141.08 57.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.632 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 1.126 HD21 ' CE2' ' A' ' 59' ' ' TYR . 3.0 pp -77.08 -16.27 59.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.35 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.493 ' OD1' ' HB3' ' A' ' 59' ' ' TYR . 97.9 m-20 -70.17 -15.3 62.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.273 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.905 ' HG3' HD11 ' A' ' 109' ' ' LEU . 75.1 mmtt -65.13 -38.44 90.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.173 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.867 ' O ' HD21 ' A' ' 80' ' ' LEU . 4.6 m-85 -79.01 118.09 20.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.254 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.899 ' NH2' HD23 ' A' ' 80' ' ' LEU . 6.6 mmp_? -63.27 -39.91 95.93 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.382 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -146.24 120.65 9.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.856 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.985 HD11 ' CG2' ' A' ' 82' ' ' VAL . 38.3 pt -130.92 148.42 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.297 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.557 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 50.7 t30 -149.26 116.21 5.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.872 ' CA ' HD13 ' A' ' 126' ' ' ILE . . . -99.06 125.67 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.187 0.517 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.595 ' OG1' ' CB ' ' A' ' 124' ' ' HIS . 72.1 p -82.66 162.91 21.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.701 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.547 ' O ' ' O ' ' A' ' 120' ' ' THR . 99.2 m-20 -42.21 174.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.709 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.418 ' HG ' ' CD1' ' A' ' 94' ' ' ILE . 87.8 mt -61.03 -40.32 93.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.2 -34.79 78.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.1 0.476 . . . . 0.0 109.941 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.595 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 79.7 m80 -85.14 164.99 17.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.224 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.53 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.9 m-20 -97.65 158.64 15.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 111.006 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.897 ' O ' HG23 ' A' ' 139' ' ' VAL . 0.2 OUTLIER -108.96 130.02 62.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.947 -179.412 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.747 ' N ' HD12 ' A' ' 126' ' ' ILE . 10.0 mptt -120.46 151.61 39.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.353 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.705 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 51.4 t -131.96 129.25 39.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.622 ' CE2' ' HD3' ' A' ' 137' ' ' LYS . 97.5 m-85 -107.91 130.5 55.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.845 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -59.3 -50.27 74.65 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.399 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.585 ' NZ ' ' HD3' ' A' ' 134' ' ' LYS . 3.1 pttm -119.46 19.1 12.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.131 0.491 . . . . 0.0 109.796 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.486 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.96 -13.43 67.68 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.016 -1.233 . . . . 0.0 110.016 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 87.9 t80 -162.54 116.9 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.585 ' HD3' ' NZ ' ' A' ' 131' ' ' LYS . 35.1 ttpt 176.28 164.05 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.884 0.374 . . . . 0.0 110.855 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 10.9 t -68.5 -23.97 64.62 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.796 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.545 ' HB3' ' CE ' ' A' ' 134' ' ' LYS . 23.9 tptm -90.45 115.38 27.57 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.996 0.427 . . . . 0.0 110.578 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.622 ' HD3' ' CE2' ' A' ' 129' ' ' TYR . 56.0 mtmt -142.71 154.75 44.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.486 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.538 ' OE1' ' OH ' ' A' ' 114' ' ' TYR . 99.3 mt-10 -115.24 142.05 47.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.319 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.974 ' O ' HD13 ' A' ' 140' ' ' ILE . 11.1 p -130.86 140.75 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.973 0.416 . . . . 0.0 110.687 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.974 HD13 ' O ' ' A' ' 139' ' ' VAL . 25.6 mm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.518 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HD3' ' C ' ' A' ' 24' ' ' ARG . 4.7 tmt_? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.622 0.249 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 54.5 tp10 -60.28 -44.11 95.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.573 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -69.57 -39.77 77.16 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.653 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.85 97.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.13 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 5.2 pp0? -73.6 -25.45 60.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.471 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.524 ' OE2' ' HA ' ' A' ' 89' ' ' LEU . 54.0 tp10 -62.06 -42.91 99.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.562 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.1 mmm -62.96 -40.48 97.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.92 -40.71 96.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.423 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -61.61 -44.36 97.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.421 179.677 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 91' ' ' PHE . 62.6 tp -61.56 -44.65 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.637 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.86 -39.42 94.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -60.63 -43.94 96.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.619 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.18 -40.03 92.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.986 ' CE1' HD21 ' A' ' 45' ' ' LEU . 41.5 m-85 -65.94 -35.26 80.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.044 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.582 ' OE1' ' OD1' ' A' ' 39' ' ' ASN . 16.7 tm-20 -59.86 -39.44 85.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.13 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.582 ' OD1' ' OE1' ' A' ' 38' ' ' GLU . 98.0 m-20 -97.88 8.68 44.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -104.88 82.78 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.795 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.05 141.61 58.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.448 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.564 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 92.06 -4.59 78.11 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.581 -0.607 . . . . 0.0 111.581 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.597 ' CD2' ' HB2' ' A' ' 54' ' ' LYS . 95.0 m95 -116.71 138.4 51.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 110.358 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 65.9 m-85 -135.62 147.76 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.715 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.986 HD21 ' CE1' ' A' ' 37' ' ' PHE . 2.7 mp -120.07 143.88 47.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.75 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.565 ' OG ' ' HG3' ' A' ' 49' ' ' LYS . 88.3 p -120.69 140.18 51.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.951 0.405 . . . . 0.0 110.625 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -68.1 -38.96 82.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.673 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 tpt -59.11 -46.21 88.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.105 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.611 ' O ' ' N ' ' A' ' 51' ' ' SER . 7.2 ptpp? -121.06 54.42 1.09 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.204 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.602 ' C ' ' O ' ' A' ' 49' ' ' LYS . 59.1 p30 -15.74 82.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.611 ' N ' ' O ' ' A' ' 49' ' ' LYS . 97.0 p -155.57 164.19 38.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.561 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.686 ' HB1' ' CE2' ' A' ' 37' ' ' PHE . . . -126.06 141.88 51.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB3' ' CB ' ' A' ' 62' ' ' ARG . 52.2 p90 -151.67 160.84 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.022 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.606 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 34.3 ttpt -133.23 136.36 45.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.784 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -98.6 129.8 45.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.037 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.606 ' CZ ' ' HE3' ' A' ' 54' ' ' LYS . 97.7 m-85 -101.48 -4.34 26.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.12 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.9 -10.76 72.77 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 57.8 mtmt -115.54 -32.3 5.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.952 0.406 . . . . 0.0 110.538 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.688 ' CG ' HD12 ' A' ' 111' ' ' LEU . 53.8 p90 -154.91 161.53 41.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.422 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 1.017 ' O ' HD12 ' A' ' 81' ' ' ILE . 88.9 tt0 -113.99 129.33 56.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.942 0.401 . . . . 0.0 110.963 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.559 HG23 ' CD1' ' A' ' 59' ' ' TYR . 48.1 pt -127.8 138.45 54.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.01 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.563 ' CB ' ' HB3' ' A' ' 53' ' ' TYR . 51.6 ptt85 -138.81 158.95 43.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.017 0.437 . . . . 0.0 111.158 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.712 HD11 ' CD1' ' A' ' 95' ' ' ILE . 84.1 mt -109.15 144.58 37.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.192 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 91.2 p -147.29 164.09 34.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -56.85 169.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.791 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.49 ' O ' ' HD3' ' A' ' 85' ' ' LYS . 3.5 m-70 -61.27 -38.59 87.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.739 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.159 179.492 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 58' ' ' LYS . 56.9 mmm-85 -129.55 155.38 45.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.297 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.89 HD11 ' CA ' ' A' ' 115' ' ' ARG . 3.8 mm? -56.36 141.12 43.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.263 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.017 HD12 ' O ' ' A' ' 60' ' ' GLU . 11.1 tp -131.18 141.92 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.014 HG13 HG22 ' A' ' 117' ' ' ILE . 95.9 t -117.46 125.15 73.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.226 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.517 ' OD1' ' CZ ' ' A' ' 62' ' ' ARG . 73.5 m-20 -101.71 126.01 48.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.647 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.059 HD13 ' HG2' ' A' ' 98' ' ' LYS . 84.5 mt -121.95 126.8 74.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 66' ' ' HIS . 64.3 mttp -85.25 131.35 34.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.633 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.829 ' HB2' HD13 ' A' ' 94' ' ' ILE . . . -157.95 140.26 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.5 p -74.28 159.73 32.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.355 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 63.1 mttp -63.65 -40.73 97.59 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.689 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.544 HD23 ' C ' ' A' ' 89' ' ' LEU . 9.6 tt -63.12 -44.56 95.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.75 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -104.87 16.86 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.512 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.641 ' CZ ' HD12 ' A' ' 63' ' ' LEU . 90.1 t80 -58.96 -49.3 78.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.496 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.806 ' O ' HG22 ' A' ' 95' ' ' ILE . 34.0 m -73.34 -35.56 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.743 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.81 -40.0 93.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.654 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.829 HD13 ' HB2' ' A' ' 86' ' ' ALA . 6.1 tt -65.94 -28.78 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.108 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.806 HG22 ' O ' ' A' ' 92' ' ' VAL . 5.3 tp -57.3 -39.76 69.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.476 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 95' ' ' ILE . 88.9 tt0 -63.29 -49.41 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.606 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.633 ' HB2' HD21 ' A' ' 122' ' ' LEU . 8.9 m120 -70.81 -39.3 73.14 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.88 0.371 . . . . 0.0 111.555 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 1.059 ' HG2' HD13 ' A' ' 84' ' ' ILE . 0.7 OUTLIER -67.25 -36.25 81.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.088 -179.179 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 95' ' ' ILE . 3.5 mp -57.17 -43.76 82.9 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.224 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.27 -38.36 90.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.205 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 35.2 mmtp -64.91 -39.35 93.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.439 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 99' ' ' LEU . 45.5 pt -77.17 -36.33 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.103 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 99' ' ' LEU . 87.5 mt -62.18 -45.7 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.585 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 88.8 tt0 -63.27 -42.4 99.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.112 0.482 . . . . 0.0 110.045 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.706 ' HD3' HD13 ' A' ' 140' ' ' ILE . 58.3 mtmt -63.87 -40.26 96.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.67 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -73.33 -44.1 55.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.931 -179.283 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.585 ' OD1' ' O ' ' A' ' 104' ' ' GLU . 56.6 p30 -77.88 -4.32 46.13 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.632 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.54 ' HG2' ' OD1' ' A' ' 107' ' ' ASP . 31.7 mmmt -113.17 -32.28 6.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.189 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.985 ' O ' HD12 ' A' ' 109' ' ' LEU . 2.4 pp -157.13 132.5 9.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.7 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.09 146.01 51.23 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.38 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.688 HD12 ' CG ' ' A' ' 59' ' ' TYR . 96.5 mt -79.3 -13.05 59.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.031 0.443 . . . . 0.0 110.265 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.22 -37.83 81.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.364 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -64.33 -39.3 93.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.511 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.841 ' HE1' HD13 ' A' ' 109' ' ' LEU . 93.6 m-85 -78.9 149.99 32.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.586 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.89 ' CA ' HD11 ' A' ' 80' ' ' LEU . 41.6 mmt180 -104.56 -29.34 10.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.239 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.597 ' C ' HD12 ' A' ' 117' ' ' ILE . 90.5 t80 -147.63 127.99 13.95 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.242 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 1.014 HG22 HG13 ' A' ' 82' ' ' VAL . 1.4 mp -126.4 138.37 54.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.049 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 67.0 t30 -137.59 111.3 8.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.46 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.887 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -101.13 132.77 46.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.662 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.612 ' CG2' ' CB ' ' A' ' 124' ' ' HIS . 14.8 m -97.32 162.52 13.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.115 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.609 ' O ' ' O ' ' A' ' 120' ' ' THR . 55.4 t30 -37.95 173.57 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.227 0.537 . . . . 0.0 111.674 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 97' ' ' ASN . 86.6 mt -60.26 -39.52 87.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.437 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.12 -33.84 76.97 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CB ' ' CG2' ' A' ' 120' ' ' THR . 80.2 m80 -89.68 165.12 14.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.712 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -98.18 171.02 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.74 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.861 HD13 ' C ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -107.97 137.04 41.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.002 -179.556 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.775 ' HG2' HG22 ' A' ' 139' ' ' VAL . 98.5 mttt -125.77 150.66 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.752 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.597 ' SG ' ' HB3' ' A' ' 138' ' ' GLU . 30.3 p -135.91 156.09 49.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.445 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.7 m-85 -118.18 133.22 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.028 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.494 ' HD2' ' HG3' ' A' ' 131' ' ' LYS . 77.4 t80 -60.05 -49.14 78.85 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.704 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.529 ' HD2' ' CE ' ' A' ' 134' ' ' LYS . 99.0 mttt -105.07 7.27 33.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 110.096 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.541 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 94.82 -15.61 63.0 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.541 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.0 t80 -160.92 115.47 2.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 23.4 ttmm 173.41 164.97 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.543 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.533 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 96.2 m -66.45 -40.98 89.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.081 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -69.0 121.37 16.49 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.015 0.436 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 19.5 ptpt -151.34 158.96 44.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.412 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.737 ' OE1' HD22 ' A' ' 109' ' ' LEU . 88.8 tt0 -117.76 126.87 53.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.898 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.775 HG22 ' HG2' ' A' ' 127' ' ' LYS . 88.5 t -119.83 127.84 75.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.81 ' CD1' HD12 ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.713 0.292 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.26 -42.23 98.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.412 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -64.73 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.56 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.18 91.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.575 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -62.98 -39.88 96.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.403 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 88' ' ' LYS . 54.5 tp10 -62.03 -42.18 98.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.541 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -62.41 -40.33 96.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.74 -40.13 94.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.368 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.36 -43.78 98.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.533 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.63 -39.85 95.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.29 -40.62 96.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.387 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.29 -44.44 97.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.082 0.467 . . . . 0.0 109.83 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.71 -38.07 86.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.279 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.727 ' HB2' HD12 ' A' ' 45' ' ' LEU . 93.7 t80 -58.22 -47.28 84.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.357 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' OE1' ' OD1' ' A' ' 39' ' ' ASN . 16.7 tm-20 -59.55 -40.36 86.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.919 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.442 ' OD1' ' OE1' ' A' ' 38' ' ' GLU . 75.1 m-80 -99.17 12.58 35.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.98 0.419 . . . . 0.0 110.31 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.767 HD22 ' CB ' ' A' ' 43' ' ' TRP . 1.2 mt -94.08 77.08 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.414 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -67.57 129.05 38.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.538 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 83.08 2.3 90.58 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.767 ' CB ' HD22 ' A' ' 40' ' ' LEU . 93.4 m95 -119.15 144.16 46.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.659 0.266 . . . . 0.0 110.713 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 80.2 m-85 -131.99 143.74 50.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.646 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 52' ' ' ALA . 92.0 mt -115.03 135.28 54.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.648 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 40.4 t -120.51 128.28 52.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.138 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.46 ' HA ' ' OD1' ' A' ' 50' ' ' ASP . 48.0 t -63.45 -45.15 92.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.3 tpt -61.09 -44.36 97.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.358 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.624 ' O ' ' N ' ' A' ' 51' ' ' SER . 75.5 mmtt -112.66 38.7 2.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.378 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' LYS . 97.4 m-20 -13.56 79.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.628 0.58 . . . . 0.0 111.078 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.7 t -156.71 147.51 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.062 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.85 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -113.29 140.04 48.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.712 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.589 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 53.7 p90 -148.44 159.04 44.43 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.322 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.64 ' CD ' ' CZ ' ' A' ' 56' ' ' PHE . 41.1 ttmt -117.0 126.65 53.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.894 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -101.29 104.8 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.737 ' CD1' ' CZ ' ' A' ' 59' ' ' TYR . 70.9 m-85 -86.83 -10.98 52.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 109.952 178.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.94 -9.58 77.4 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm -112.68 -30.56 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.277 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.901 ' CG ' HD22 ' A' ' 111' ' ' LEU . 55.1 p90 -153.99 161.67 41.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -117.42 129.08 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.14 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 48.2 pt -126.08 136.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.6 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.524 HH21 ' CB ' ' A' ' 51' ' ' SER . 8.9 ptm180 -140.81 155.64 46.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.535 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.865 HD13 ' CG2' ' A' ' 94' ' ' ILE . 89.1 mt -112.96 127.6 56.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.129 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.538 ' O ' ' O ' ' A' ' 65' ' ' ASN . 70.4 m -137.51 160.03 40.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.538 ' O ' ' O ' ' A' ' 64' ' ' SER . 51.7 t30 -55.84 -145.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.738 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.457 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 52.1 p-80 -59.95 -24.72 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--N 1.328 -0.353 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.479 179.611 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -132.61 159.37 39.73 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.819 HD11 ' HA ' ' A' ' 115' ' ' ARG . 3.6 mm? -56.04 141.37 40.33 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.34 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.6 mt -116.44 128.06 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.083 HG22 ' HB ' ' A' ' 117' ' ' ILE . 66.9 t -117.54 124.39 72.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.298 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -101.75 123.13 45.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.167 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.853 HD13 ' HG2' ' A' ' 98' ' ' LYS . 86.0 mt -118.86 127.48 75.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.036 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -102.74 130.61 49.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.469 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.565 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -157.13 153.94 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.45 ' HB2' ' HB2' ' A' ' 90' ' ' ASN . 69.2 m -69.76 150.78 46.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.271 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 68.5 mttm -61.57 -39.72 92.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.53 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.771 HD12 ' OD1' ' A' ' 90' ' ' ASN . 3.0 pp -75.41 -20.16 59.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.335 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.771 ' OD1' HD12 ' A' ' 89' ' ' LEU . 98.5 m-20 -100.36 11.87 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.494 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.641 ' O ' HG22 ' A' ' 94' ' ' ILE . 90.1 t80 -58.97 -48.67 80.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 1.104 ' O ' HG22 ' A' ' 95' ' ' ILE . 56.7 t -62.17 -45.62 98.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.946 0.403 . . . . 0.0 110.647 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -62.14 -44.4 96.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.865 ' CG2' HD13 ' A' ' 63' ' ' LEU . 5.8 tp -67.11 -29.71 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.108 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 1.104 HG22 ' O ' ' A' ' 92' ' ' VAL . 9.3 tp -61.96 -30.53 48.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.288 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -88.31 -53.94 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.889 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.584 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 30.2 m120 -65.66 -42.64 91.15 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.554 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.853 ' HG2' HD13 ' A' ' 84' ' ' ILE . 17.4 tppt? -65.39 -43.4 90.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.728 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.842 HD13 ' O ' ' A' ' 95' ' ' ILE . 8.2 mp -61.12 -41.5 96.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.181 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.46 -39.62 93.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.335 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.7 mmtp -63.29 -39.13 93.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.12 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.581 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.39 -41.61 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.708 -179.275 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.868 ' O ' HG22 ' A' ' 106' ' ' ILE . 91.4 mt -61.68 -45.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.54 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -62.47 -45.64 92.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.383 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 102' ' ' ILE . 22.4 ptmt -65.77 -33.35 75.66 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.505 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.868 HG22 ' O ' ' A' ' 103' ' ' ILE . 10.7 tt -70.18 -28.44 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.551 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.47 -39.6 93.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -89.35 -14.6 35.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.259 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.827 HD22 ' OH ' ' A' ' 114' ' ' TYR . 1.9 pp -157.0 164.23 38.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.459 ' N ' HD12 ' A' ' 109' ' ' LEU . 68.4 m-20 -104.38 139.81 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.722 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.901 HD22 ' CG ' ' A' ' 59' ' ' TYR . 10.6 mp -64.48 -24.59 67.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.342 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -58.75 -37.95 77.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.469 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -63.65 -39.24 93.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.124 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.827 ' OH ' HD22 ' A' ' 109' ' ' LEU . 22.3 m-30 -77.34 139.08 39.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.246 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.819 ' HA ' HD11 ' A' ' 80' ' ' LEU . 69.6 mtp85 -95.7 -37.69 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.527 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CD1' ' HA3' ' A' ' 132' ' ' GLY . 96.0 m-85 -129.84 128.55 42.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.962 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 1.083 ' HB ' HG22 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -135.5 133.85 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.493 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.582 ' O ' HD12 ' A' ' 126' ' ' ILE . 55.4 t-20 -148.12 111.71 5.02 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.216 -178.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.899 ' HA ' HD13 ' A' ' 126' ' ' ILE . . . -82.82 150.44 26.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.778 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.581 ' OG1' ' CB ' ' A' ' 124' ' ' HIS . 53.0 p -118.86 161.86 19.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.884 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 124' ' ' HIS . 63.2 t30 -38.5 150.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.333 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.22 -35.88 5.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.4 -34.46 78.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.119 0.485 . . . . 0.0 109.728 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.581 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 51.8 m80 -87.24 164.12 16.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.755 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.545 ' O ' ' OG1' ' A' ' 120' ' ' THR . 54.3 p30 -97.06 173.97 6.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.899 HD13 ' HA ' ' A' ' 119' ' ' ALA . 2.5 tp -107.1 137.42 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.135 0.493 . . . . 0.0 110.453 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.566 ' H ' HD12 ' A' ' 126' ' ' ILE . 98.5 mttt -119.42 136.06 54.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.608 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.706 ' SG ' ' CG ' ' A' ' 114' ' ' TYR . 52.6 t -135.8 131.29 35.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.787 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.467 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -108.01 131.82 54.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.127 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.801 ' HD2' ' HZ3' ' A' ' 134' ' ' LYS . 86.3 t80 -60.23 -48.68 80.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.803 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.604 ' HB3' ' HZ2' ' A' ' 134' ' ' LYS . 64.6 tttp -105.93 -3.64 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.572 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.574 ' HA3' ' CD1' ' A' ' 116' ' ' PHE . . . 100.68 -17.0 57.16 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.632 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 55.6 p90 -161.63 116.16 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.801 ' HZ3' ' HD2' ' A' ' 130' ' ' TYR . 0.1 OUTLIER 170.75 166.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.833 -179.177 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.6 t -68.76 -20.32 64.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.557 ' O ' ' HD3' ' A' ' 134' ' ' LYS . 64.2 tttm -92.31 118.45 30.92 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.117 0.484 . . . . 0.0 110.957 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -150.64 159.01 44.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.346 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.521 ' HG3' ' OH ' ' A' ' 114' ' ' TYR . 79.3 mm-40 -115.65 141.1 48.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.517 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.9 p -138.77 142.72 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.592 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 105' ' ' LYS . 87.4 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.56 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.518 ' HD2' ' O ' ' A' ' 24' ' ' ARG . 8.2 tmm_? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.679 0.276 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.36 -43.42 96.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.515 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -65.33 -38.69 90.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.493 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.46 94.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.679 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.21 -40.14 96.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.372 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.561 ' OE2' ' O ' ' A' ' 88' ' ' LYS . 54.1 tp10 -62.26 -42.25 99.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 ttp -60.7 -45.19 95.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.49 -40.14 93.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.384 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -61.28 -43.71 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.395 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.55 -43.77 98.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.467 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.4 -42.18 98.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.478 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.15 -39.72 93.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.307 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.663 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.57 -39.34 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.318 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' HB2' HD11 ' A' ' 45' ' ' LEU . 82.3 t80 -58.64 -47.3 84.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.33 -39.84 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.565 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -90.93 12.57 19.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.654 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.932 HD12 ' CD1' ' A' ' 43' ' ' TRP . 1.1 mm? -119.0 80.29 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 41' ' ' ASP . 58.7 p30 -67.54 141.6 56.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.376 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.548 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 81.53 6.68 88.99 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.932 ' CD1' HD12 ' A' ' 40' ' ' LEU . 92.8 m95 -116.79 143.2 45.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 110.653 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.522 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 68.4 m-85 -130.35 146.85 51.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.844 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.837 HD21 ' HB2' ' A' ' 52' ' ' ALA . 90.5 mt -114.49 141.39 47.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.532 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.7 p -120.07 133.55 55.49 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.247 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.5 p -68.57 -34.96 76.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.376 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.463 ' HE2' ' HA ' ' A' ' 48' ' ' MET . 39.0 mmt -61.94 -41.01 97.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.001 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.9 mtmt -130.27 38.66 3.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.792 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.8 m-20 1.86 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.609 0.568 . . . . 0.0 111.476 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.633 ' N ' ' O ' ' A' ' 49' ' ' LYS . 71.0 m -130.77 150.16 52.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.897 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.837 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -112.82 135.52 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.162 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.591 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 52.6 p90 -147.79 158.16 43.89 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.657 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.609 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 35.4 ttpt -134.39 137.02 43.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.141 0.496 . . . . 0.0 111.082 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 58.8 p30 -95.41 140.85 29.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.837 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.605 ' CZ ' ' HE3' ' A' ' 54' ' ' LYS . 98.0 m-85 -112.66 -7.98 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.263 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.499 ' C ' HH12 ' A' ' 79' ' ' ARG . . . 90.52 -11.46 71.39 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HB3' ' OD2' ' A' ' 112' ' ' ASP . 30.7 mtpp -115.62 -30.7 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.006 0.431 . . . . 0.0 110.458 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 1.09 ' CE2' HD21 ' A' ' 111' ' ' LEU . 54.1 p90 -154.81 161.44 41.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.501 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.514 ' HB2' ' HD2' ' A' ' 79' ' ' ARG . 89.0 tt0 -116.11 127.97 55.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.806 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.813 HG22 ' HB ' ' A' ' 82' ' ' VAL . 48.4 pt -127.23 137.52 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.034 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.696 ' C ' HD12 ' A' ' 63' ' ' LEU . 9.1 ptm180 -139.8 155.83 47.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.019 0.438 . . . . 0.0 111.087 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.097 HD11 HD12 ' A' ' 84' ' ' ILE . 7.0 mp -118.17 125.49 50.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.942 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 65' ' ' ASN . 63.0 m -128.37 153.71 46.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.767 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 51.1 m-80 -56.22 -158.82 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.461 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -61.78 -39.49 91.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.353 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.596 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.514 ' HD2' ' HB2' ' A' ' 60' ' ' GLU . 10.3 ptp180 -135.98 161.4 35.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.677 0.275 . . . . 0.0 110.362 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.834 HD22 ' H ' ' A' ' 80' ' ' LEU . 1.3 mm? -68.97 143.22 54.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.395 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.628 ' O ' HD12 ' A' ' 117' ' ' ILE . 87.4 mt -119.07 128.37 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.947 ' CG2' HD13 ' A' ' 117' ' ' ILE . 65.1 t -111.45 122.63 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.111 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.504 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 83.8 m-20 -108.55 130.12 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.653 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.097 HD12 HD11 ' A' ' 63' ' ' LEU . 86.7 mt -121.86 127.94 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.488 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -102.49 129.46 49.01 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.567 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.811 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -157.82 154.12 27.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.8 m -65.72 145.17 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.153 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.561 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 26.1 pttm -60.9 -32.65 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.321 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.542 HD12 ' OE1' ' A' ' 29' ' ' GLU . 61.0 tp -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.178 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -102.19 17.6 22.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.448 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.708 ' O ' HG22 ' A' ' 94' ' ' ILE . 91.0 t80 -58.07 -48.71 79.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.395 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' A' ' 95' ' ' ILE . 57.6 t -62.28 -44.61 99.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.394 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.99 -42.45 98.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.811 HG12 ' HB2' ' A' ' 86' ' ' ALA . 3.8 tp -59.54 -29.02 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.126 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 92' ' ' VAL . 88.0 mt -60.72 -45.5 97.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.973 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.546 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 59.9 mp0 -62.64 -46.95 85.84 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.873 -179.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.9 m-20 -71.86 -41.86 67.58 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.923 ' HG2' HG21 ' A' ' 84' ' ' ILE . 2.1 mptp? -68.41 -42.16 79.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.621 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.958 HD13 HD11 ' A' ' 102' ' ' ILE . 1.3 mm? -62.69 -41.86 99.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.02 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.559 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 98.9 m-20 -63.37 -39.84 95.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.739 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 74.5 mmtt -64.29 -39.29 93.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.958 HD11 HD13 ' A' ' 99' ' ' LEU . 44.8 pt -75.34 -37.49 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.987 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.526 ' N ' HG13 ' A' ' 102' ' ' ILE . 89.8 mt -62.16 -47.41 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 0.0 110.614 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.559 ' OE1' ' O ' ' A' ' 100' ' ' ASP . 4.5 mp0 -67.33 -39.38 85.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.773 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.599 ' NZ ' ' SG ' ' A' ' 128' ' ' CYS . 40.9 ttmt -60.41 -45.17 94.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.603 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.774 ' CG1' HD23 ' A' ' 111' ' ' LEU . 77.7 mt -60.86 -42.54 92.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.367 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.02 -41.65 92.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.777 -178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.541 ' HB2' HD13 ' A' ' 109' ' ' LEU . 98.5 mttt -72.95 -38.44 66.75 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.24 0.543 . . . . 0.0 109.731 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.924 ' N ' HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -156.98 178.19 10.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.018 179.689 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -90.07 129.41 36.37 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 1.09 HD21 ' CE2' ' A' ' 59' ' ' TYR . 3.7 pp -72.92 -17.32 61.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.966 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.796 ' HA ' HD23 ' A' ' 80' ' ' LEU . 98.2 m-20 -64.09 -22.1 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.47 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.284 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.537 ' CZ ' ' OE1' ' A' ' 138' ' ' GLU . 53.1 m-85 -78.83 110.76 14.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.318 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.516 ' HA ' HD12 ' A' ' 80' ' ' LEU . 62.8 ttm-85 -63.05 -43.07 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.721 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.417 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 92.0 t80 -121.04 122.37 39.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.406 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 1.003 HG23 ' SG ' ' A' ' 128' ' ' CYS . 0.5 OUTLIER -127.59 131.28 70.24 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.478 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 83' ' ' ASN . 3.3 t-20 -148.37 113.58 5.54 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.548 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.796 ' HB2' HD12 ' A' ' 126' ' ' ILE . . . -83.0 156.29 23.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.554 ' O ' ' O ' ' A' ' 121' ' ' ASN . 53.1 p -124.99 161.14 27.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.066 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.554 ' O ' ' O ' ' A' ' 120' ' ' THR . 60.8 m-20 -39.29 169.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.485 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.68 -39.45 88.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.235 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.465 ' OE2' ' CE1' ' A' ' 124' ' ' HIS . 25.1 pt-20 -67.39 -14.34 62.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.934 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.506 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 51.4 m80 -112.82 158.98 19.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.686 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.533 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.3 m-20 -98.69 170.49 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.684 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.796 HD12 ' HB2' ' A' ' 119' ' ' ALA . 16.9 tt -108.09 133.96 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 110.431 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -120.32 139.08 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.579 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 1.003 ' SG ' HG23 ' A' ' 117' ' ' ILE . 75.5 m -125.75 149.1 48.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.703 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.502 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.3 m-85 -117.54 137.05 52.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.131 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.617 ' CE2' ' HE3' ' A' ' 131' ' ' LYS . 62.3 t80 -60.89 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.617 ' HE3' ' CE2' ' A' ' 130' ' ' TYR . 34.9 mmtp -116.07 12.22 15.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.491 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.502 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.33 -13.37 67.37 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.497 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 83.0 t80 -162.53 116.79 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.537 ' NZ ' ' NZ ' ' A' ' 136' ' ' LYS . 6.8 mtpp 171.65 166.5 0.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.698 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 12.7 t -67.31 -25.23 65.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.579 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.537 ' NZ ' ' NZ ' ' A' ' 134' ' ' LYS . 39.2 mtmm -81.77 126.62 32.05 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.127 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -151.33 158.62 44.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.782 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.537 ' OE1' ' CZ ' ' A' ' 114' ' ' TYR . 88.8 tt0 -117.23 129.42 55.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.207 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 10.0 p -136.3 140.91 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.689 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.613 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.694 0.283 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 78.6 mm-40 -62.61 -40.31 96.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.408 . . . . 0.0 110.458 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -67.44 -38.77 85.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.844 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.8 98.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.892 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 16.3 pt20 -73.6 -25.43 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.438 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.521 ' OE2' ' C ' ' A' ' 88' ' ' LYS . 54.4 tp10 -62.27 -42.55 99.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.322 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -62.64 -40.4 96.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.482 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.83 -40.4 95.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.321 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.645 ' CZ ' ' O ' ' A' ' 89' ' ' LEU . 79.8 ttt180 -61.61 -43.76 98.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.341 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.93 -39.16 93.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.537 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -61.85 -39.95 93.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.001 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.899 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.66 -39.1 90.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.28 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 79.3 t80 -58.22 -47.48 83.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.47 -37.92 82.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.791 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.72 7.99 44.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.362 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.899 HD23 ' O ' ' A' ' 36' ' ' ALA . 2.1 mm? -111.74 93.58 4.53 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.849 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.9 t0 -67.52 130.7 43.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.802 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.1 17.86 70.97 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.935 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.756 ' CD1' HD12 ' A' ' 40' ' ' LEU . 93.1 m95 -118.25 142.0 47.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.798 0.333 . . . . 0.0 110.755 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 81.1 m-85 -134.22 145.65 49.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.756 HD21 ' HB2' ' A' ' 52' ' ' ALA . 92.6 mt -118.7 139.65 51.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.615 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 40.1 t -120.22 128.52 53.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.408 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.0 p -67.12 -37.35 83.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 63.5 mtt -62.95 -40.58 98.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.631 ' O ' ' C ' ' A' ' 50' ' ' ASP . 99.4 mttt -122.17 38.76 4.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.579 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.631 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.5 m-20 -5.21 75.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.57 0.544 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.4 t -149.63 150.27 31.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.859 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.756 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -108.64 138.27 45.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.345 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.2 p90 -149.99 163.47 38.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.51 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 1.041 ' HD3' HD11 ' A' ' 61' ' ' ILE . 22.0 ptmt -132.49 147.98 52.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -114.89 106.26 13.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.341 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.646 ' CE1' ' CE ' ' A' ' 54' ' ' LYS . 1.4 m-85 -92.51 -9.83 39.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 0.0 110.392 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.63 -9.73 76.77 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -113.46 -31.08 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.463 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.609 ' CD2' HD12 ' A' ' 111' ' ' LEU . 54.2 p90 -154.81 160.92 41.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.603 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.569 ' OE2' ' CD1' ' A' ' 53' ' ' TYR . 51.5 tp10 -121.48 128.23 51.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.615 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.041 HD11 ' HD3' ' A' ' 54' ' ' LYS . 47.3 pt -130.8 137.18 56.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.482 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.661 ' CZ ' ' OD1' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -139.48 157.09 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.103 0.477 . . . . 0.0 110.949 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.872 ' N ' HD12 ' A' ' 63' ' ' LEU . 2.3 mp -112.21 146.94 37.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.863 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 65' ' ' ASN . 99.5 p -142.83 162.78 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.789 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.465 HD21 ' HE2' ' A' ' 88' ' ' LYS . 98.8 m-20 -56.27 -159.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.594 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.575 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 86.6 t60 -58.81 -46.51 87.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.308 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--N 1.329 -0.319 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.14 179.385 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.509 ' C ' ' HD2' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.509 ' HD2' ' C ' ' A' ' 78' ' ' GLY . 12.4 mpt_? -118.91 153.24 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.725 0.298 . . . . 0.0 110.447 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.579 ' CD1' ' O ' ' A' ' 114' ' ' TYR . 3.7 mm? -56.64 149.82 16.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.414 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.7 mm -106.99 123.59 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.93 ' HB ' HG22 ' A' ' 61' ' ' ILE . 49.1 t -124.3 124.84 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.712 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.661 ' OD1' ' CZ ' ' A' ' 62' ' ' ARG . 98.3 m-20 -106.16 124.28 49.34 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.705 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.815 HG12 ' HB3' ' A' ' 119' ' ' ALA . 86.4 mt -119.1 127.87 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.451 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.575 ' CE ' ' O ' ' A' ' 66' ' ' HIS . 59.8 mtpt -101.86 126.5 48.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.749 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.707 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -162.37 150.79 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.4 m -73.72 148.61 42.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.587 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.521 ' C ' ' OE2' ' A' ' 29' ' ' GLU . 68.4 mttm -62.19 -39.59 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.834 0.349 . . . . 0.0 110.332 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.645 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 7.6 mp -62.55 -38.74 91.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.899 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -99.49 16.18 24.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.484 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.832 ' O ' HG23 ' A' ' 95' ' ' ILE . 87.3 t80 -58.6 -48.14 81.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.72 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 95' ' ' ILE . 66.8 t -61.44 -46.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.203 0.525 . . . . 0.0 110.44 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.31 -40.22 95.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.816 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.707 HG12 ' HB2' ' A' ' 86' ' ' ALA . 5.5 tp -70.46 -38.63 74.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.451 -178.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.832 HG23 ' O ' ' A' ' 91' ' ' PHE . 47.3 pt -67.26 -31.6 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.619 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 98.8 mt-10 -65.49 -41.46 93.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.557 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 64.7 t30 -84.45 -46.26 11.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.414 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.758 ' NZ ' HD23 ' A' ' 122' ' ' LEU . 14.4 mptt -64.83 -40.61 95.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.977 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.63 ' C ' HD23 ' A' ' 99' ' ' LEU . 10.2 tt -59.96 -44.13 94.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.973 0.416 . . . . 0.0 109.999 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.99 -39.26 91.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.461 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.577 ' O ' ' CG ' ' A' ' 105' ' ' LYS . 75.6 mmtt -62.54 -38.84 91.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.114 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.599 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -76.0 -45.43 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.648 -179.195 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.859 ' O ' HG22 ' A' ' 106' ' ' ILE . 33.4 mm -62.46 -47.29 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.718 0.294 . . . . 0.0 111.167 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 88.8 tt0 -67.0 -43.92 81.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 110.832 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.984 ' HE3' HD13 ' A' ' 140' ' ' ILE . 47.0 mmtm -64.54 -40.08 94.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.385 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.859 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.7 tt -63.5 -30.92 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.628 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -63.15 -45.07 93.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.412 ' NZ ' ' HG2' ' A' ' 104' ' ' GLU . 38.2 mtmm -73.27 -37.8 66.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.126 0.488 . . . . 0.0 110.242 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.966 ' O ' HD12 ' A' ' 109' ' ' LEU . 1.2 pp -148.52 132.2 16.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.385 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.56 140.12 58.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.929 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.609 HD12 ' CD2' ' A' ' 59' ' ' TYR . 88.3 mt -63.6 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.361 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.533 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 64.6 t0 -51.76 -17.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.186 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -64.63 -38.18 90.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.868 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.599 ' OH ' HD13 ' A' ' 109' ' ' LEU . 32.0 m-85 -86.64 122.79 31.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.15 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.554 ' HB2' ' N ' ' A' ' 132' ' ' GLY . 56.6 mmm-85 -63.58 -39.53 94.63 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.355 -0.538 . . . . 0.0 109.633 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -150.26 122.89 8.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.193 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 1.015 HG22 ' CB ' ' A' ' 128' ' ' CYS . 33.3 pt -125.85 149.95 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.552 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 51.0 t30 -145.94 112.17 5.77 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.614 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.815 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.16 153.17 24.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.93 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.589 ' O ' ' O ' ' A' ' 121' ' ' ASN . 72.1 p -127.82 161.92 27.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.53 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.589 ' O ' ' O ' ' A' ' 120' ' ' THR . 56.8 m-20 -39.14 171.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.744 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.758 HD23 ' NZ ' ' A' ' 98' ' ' LYS . 90.9 mt -60.34 -40.4 90.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.434 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.62 -35.7 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.942 0.401 . . . . 0.0 110.02 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.558 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 64.8 m170 -82.13 157.83 23.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.466 ' O ' ' OG1' ' A' ' 120' ' ' THR . 54.3 p30 -97.89 173.92 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.066 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.882 ' O ' HG13 ' A' ' 139' ' ' VAL . 62.9 mt -107.59 128.97 62.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.174 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.473 ' HA ' HG22 ' A' ' 139' ' ' VAL . 19.9 ptmt -141.82 136.07 30.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.248 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 1.015 ' CB ' HG22 ' A' ' 117' ' ' ILE . 31.2 p -137.81 171.87 13.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.471 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.5 m-85 -111.11 135.96 50.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.212 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.79 -48.69 80.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.456 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.545 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 16.7 ptpt -113.84 11.1 17.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.353 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.554 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 95.54 -17.21 59.73 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.52 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 81.6 t80 -162.35 116.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.797 ' NZ ' HG22 ' A' ' 135' ' ' THR . 29.6 tptp 174.29 159.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.381 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.797 HG22 ' NZ ' ' A' ' 134' ' ' LYS . 11.4 t -68.01 -9.51 46.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.458 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 35.2 mmtp -98.67 131.48 44.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 26.4 pttm -150.47 158.61 44.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.374 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.536 ' OE1' ' OH ' ' A' ' 114' ' ' TYR . 88.7 tt0 -116.69 124.55 49.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.313 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 126' ' ' ILE . 90.8 t -124.35 128.73 73.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.687 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.984 HD13 ' HE3' ' A' ' 105' ' ' LYS . 90.1 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.576 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.814 0.34 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.562 ' OE2' ' CG ' ' A' ' 29' ' ' GLU . 16.4 tm-20 -64.24 -41.57 96.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.268 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -60.2 -48.73 80.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.32 94.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.535 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.32 -40.64 96.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.484 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.89 ' OE1' HD23 ' A' ' 89' ' ' LEU . 78.2 mm-40 -62.66 -39.33 93.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.528 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.2 -46.76 88.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.31 -40.35 96.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.095 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.475 ' NH2' ' HB ' ' A' ' 92' ' ' VAL . 4.5 tmt_? -61.62 -43.91 97.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.357 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.705 ' HG ' HD13 ' A' ' 45' ' ' LEU . 61.5 tp -61.6 -43.98 97.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.216 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -62.67 -38.56 90.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.251 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' NZ ' ' OD1' ' A' ' 39' ' ' ASN . 29.6 tptp -59.68 -42.31 92.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.999 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.933 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.69 -39.03 87.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.204 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 44' ' ' TYR . 62.2 t80 -57.47 -47.0 83.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.98 -39.8 82.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.994 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.46 ' OD1' ' NZ ' ' A' ' 35' ' ' LYS . 9.5 m120 -98.22 9.72 42.29 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.933 HD23 ' O ' ' A' ' 36' ' ' ALA . 3.4 mm? -113.12 84.77 2.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.7 t0 -67.05 132.86 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.766 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.635 ' O ' ' CE3' ' A' ' 43' ' ' TRP . . . 92.75 -5.23 76.5 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.657 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.837 ' CD1' HD12 ' A' ' 40' ' ' LEU . 8.9 m95 -119.57 148.33 43.44 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.571 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 61.7 m-85 -134.06 148.12 51.0 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.211 -178.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.705 HD13 ' HG ' ' A' ' 33' ' ' LEU . 87.0 mt -137.06 132.61 34.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.45 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.9 m -112.82 127.94 56.31 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.495 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.9 t -66.4 -45.23 80.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.474 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.465 ' HG3' ' HG3' ' A' ' 49' ' ' LYS . 27.3 ptt? -68.52 -29.85 68.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.454 -179.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.63 ' O ' ' N ' ' A' ' 51' ' ' SER . 62.0 mtpt -118.69 39.5 3.48 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.809 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.8 p30 -8.18 76.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.612 0.57 . . . . 0.0 111.037 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.6 t -154.51 154.35 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.367 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.89 ' HB3' ' CG ' ' A' ' 63' ' ' LEU . . . -107.67 130.52 54.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.1 0.476 . . . . 0.0 110.595 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.612 ' CE1' ' NH2' ' A' ' 62' ' ' ARG . 0.5 OUTLIER -107.43 137.64 45.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.25 -179.622 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.698 ' HZ1' HD23 ' A' ' 99' ' ' LEU . 58.3 mtpt -127.03 127.48 44.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.647 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -114.39 121.63 44.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.604 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 97.8 m-85 -113.02 -16.01 12.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.992 0.425 . . . . 0.0 110.401 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.37 -11.36 70.05 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.528 ' HE2' ' OD2' ' A' ' 110' ' ' ASP . 60.6 mtpt -115.62 -29.51 6.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.005 0.431 . . . . 0.0 110.225 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 1.08 ' CZ ' HD21 ' A' ' 111' ' ' LEU . 53.7 p90 -154.95 161.43 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.376 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.594 ' OE1' HD12 ' A' ' 81' ' ' ILE . 16.5 tm-20 -117.58 123.25 45.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.698 HG23 ' HD1' ' A' ' 59' ' ' TYR . 48.7 pt -132.18 138.42 52.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.041 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.612 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 19.7 ptp180 -136.9 159.07 42.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.359 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.89 ' CG ' ' HB3' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -121.16 140.8 51.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.602 -179.814 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.514 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 49.9 m -127.08 168.21 14.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.122 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -54.83 -173.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -60.8 -39.68 89.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.224 179.256 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -129.15 155.97 44.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 110.473 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.075 HD23 ' N ' ' A' ' 81' ' ' ILE . 3.3 tt -56.21 136.46 52.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.203 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.075 ' N ' HD23 ' A' ' 80' ' ' LEU . 11.1 tp -117.08 128.09 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.467 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.916 HG22 ' CG1' ' A' ' 117' ' ' ILE . 53.1 t -126.4 124.59 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.293 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.581 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 16.2 t-20 -100.64 111.64 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.541 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.889 HG12 ' HB3' ' A' ' 119' ' ' ALA . 82.4 mt -113.05 122.88 68.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.321 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.514 ' HA ' ' O ' ' A' ' 64' ' ' SER . 64.3 mttp -77.16 136.33 38.58 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.092 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.82 ' HB2' HD13 ' A' ' 94' ' ' ILE . . . -154.43 160.02 41.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.001 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.3 t -119.32 141.96 48.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.052 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.522 ' CD ' ' HB3' ' A' ' 29' ' ' GLU . 9.4 ptpp? -57.07 -28.47 62.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.343 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.89 HD23 ' OE1' ' A' ' 29' ' ' GLU . 86.3 mt -64.38 -39.64 94.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.211 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -120.04 30.05 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.732 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.734 ' HE1' HD11 ' A' ' 63' ' ' LEU . 85.9 t80 -58.64 -49.47 77.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.777 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.581 ' O ' HG12 ' A' ' 95' ' ' ILE . 64.6 t -65.61 -43.01 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 110.735 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -63.15 -42.57 99.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.207 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.82 HD13 ' HB2' ' A' ' 86' ' ' ALA . 9.9 tt -62.55 -38.23 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.471 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.591 ' O ' ' CG ' ' A' ' 99' ' ' LEU . 42.6 pt -74.11 -25.0 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.548 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.56 -46.41 90.02 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.601 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.544 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.7 m-20 -89.85 -36.7 14.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.114 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.568 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 74.8 mmtt -65.55 -40.06 92.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.085 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.698 HD23 ' HZ1' ' A' ' 54' ' ' LYS . 83.0 mt -63.27 -40.62 97.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.837 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.15 -39.52 92.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.402 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.9 mmtt -62.73 -38.83 92.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.816 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.828 HG22 HD22 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -76.99 -42.96 32.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.674 -179.275 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 1.059 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.1 mm -61.76 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.31 -43.08 95.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.045 0.45 . . . . 0.0 110.407 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 109' ' ' LEU . 62.2 mtpt -62.88 -39.65 95.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 1.059 HG22 ' O ' ' A' ' 103' ' ' ILE . 16.9 tt -62.64 -27.1 42.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -66.4 -42.88 87.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.474 ' HG3' ' HG ' ' A' ' 109' ' ' LEU . 8.0 ptpp? -89.52 -34.79 16.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.793 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.563 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 3.7 pp -156.47 147.14 21.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.442 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.562 ' OD2' ' OD2' ' A' ' 112' ' ' ASP . 66.0 t0 -84.07 109.97 18.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.903 0.382 . . . . 0.0 110.473 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 1.08 HD21 ' CZ ' ' A' ' 59' ' ' TYR . 1.1 pp -45.13 -14.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.055 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.757 ' HA ' HD12 ' A' ' 80' ' ' LEU . 56.7 p-10 -65.28 -14.29 60.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.908 0.385 . . . . 0.0 110.333 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 98.1 mttt -64.9 -38.55 91.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.256 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.712 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 26.1 m-85 -75.61 123.76 26.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.169 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.497 ' HB2' ' HA ' ' A' ' 131' ' ' LYS . 99.4 mtt180 -63.47 -39.47 94.53 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.179 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -146.61 120.05 9.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 111.406 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.916 ' CG1' HG22 ' A' ' 82' ' ' VAL . 40.4 pt -130.91 150.82 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.581 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 48.3 t-20 -143.81 111.73 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.96 -178.389 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.889 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.84 156.06 22.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.318 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.611 ' CG2' ' CB ' ' A' ' 124' ' ' HIS . 5.2 m -122.65 161.24 24.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.521 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.553 ' O ' ' O ' ' A' ' 120' ' ' THR . 21.4 m120 -38.04 167.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.94 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 122' ' ' LEU . 92.0 mt -60.86 -40.32 92.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.991 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.16 -34.4 77.96 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.611 ' CB ' ' CG2' ' A' ' 120' ' ' THR . 80.6 m80 -82.81 165.92 19.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.388 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.38 169.14 10.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.25 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 139' ' ' VAL . 16.1 tt -108.93 137.42 41.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 111.123 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -121.53 147.4 45.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.565 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.712 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 53.4 t -134.64 127.06 30.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.666 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.461 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.2 m-85 -110.96 132.06 54.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.375 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -59.81 -49.37 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.594 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 115' ' ' ARG . 3.3 ptmm? -118.04 8.49 12.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.06 0.457 . . . . 0.0 110.204 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.461 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 97.35 -21.68 44.85 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 109.646 -1.381 . . . . 0.0 109.646 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 93.0 m-85 -149.55 115.82 5.77 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 39.5 ttmt 174.77 159.49 0.18 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.924 0.393 . . . . 0.0 110.668 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.456 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 77.5 p -69.17 -20.56 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.999 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -90.55 118.46 30.02 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 14.7 ptmm? -151.1 159.02 44.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 128' ' ' CYS . 79.7 mm-40 -114.42 140.68 48.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.094 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 126' ' ' ILE . 11.0 p -136.01 142.38 39.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.876 0.37 . . . . 0.0 110.795 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.728 ' O ' HG22 ' A' ' 140' ' ' ILE . 89.2 mt . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.552 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.568 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 17.2 tpt180 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.817 0.341 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.532 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 54.4 tp10 -60.39 -41.37 93.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -67.66 -28.5 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.38 89.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.682 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.568 ' OE1' ' O ' ' A' ' 24' ' ' ARG . 26.5 mp0 -63.66 -39.82 95.31 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.17 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.564 ' HG2' ' NH2' ' A' ' 32' ' ' ARG . 98.2 mt-10 -62.72 -39.81 95.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.454 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.5 mtt -63.14 -40.67 98.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 98.4 m-20 -61.79 -41.87 98.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.965 0.412 . . . . 0.0 110.528 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.567 ' NH2' HD23 ' A' ' 89' ' ' LEU . 47.6 mtm105 -68.14 -39.15 82.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 86.5 mt -63.03 -42.08 99.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.435 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.5 pt-20 -68.71 -38.17 80.03 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.097 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 87.8 tttt -62.46 -45.46 92.96 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.654 ' C ' HD12 ' A' ' 40' ' ' LEU . . . -62.88 -38.68 91.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.425 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' HD1' HD12 ' A' ' 45' ' ' LEU . 93.3 t80 -58.49 -46.04 87.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.72 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.96 -41.19 95.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.004 0.43 . . . . 0.0 110.118 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.579 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 38.7 p30 -95.18 12.2 29.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.519 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 36' ' ' ALA . 1.1 mt -104.62 68.79 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.37 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.497 ' O ' ' NZ ' ' A' ' 54' ' ' LYS . 99.0 m-20 -65.08 136.55 56.87 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.073 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.807 ' HA3' ' HZ2' ' A' ' 54' ' ' LYS . . . 81.29 -0.97 86.87 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.406 -0.677 . . . . 0.0 111.406 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.632 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 96.9 m95 -119.46 139.88 51.34 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.251 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.591 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 81.8 m-85 -134.09 137.83 44.87 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.557 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 51' ' ' SER . 3.1 mp -122.65 145.18 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.987 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.537 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.8 p -119.77 132.95 55.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.369 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -66.12 -39.55 90.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.307 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.5 ' HG3' ' HD3' ' A' ' 49' ' ' LYS . 18.1 tpt -60.02 -45.36 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.209 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.616 ' O ' ' N ' ' A' ' 51' ' ' SER . 3.4 mptp? -123.48 39.18 4.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.616 ' C ' ' O ' ' A' ' 49' ' ' LYS . 28.4 t0 0.81 67.72 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.61 0.569 . . . . 0.0 111.535 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 49' ' ' LYS . 70.6 m -129.95 148.94 51.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.719 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -124.94 147.32 48.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.585 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 44' ' ' TYR . 53.5 p90 -147.81 160.05 43.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.031 0.443 . . . . 0.0 111.101 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.807 ' HZ2' ' HA3' ' A' ' 42' ' ' GLY . 15.3 tppt? -124.23 125.53 44.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.507 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -100.75 101.21 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.712 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.461 ' HD1' ' HG3' ' A' ' 54' ' ' LYS . 1.8 m-85 -98.51 -15.94 19.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.384 . . . . 0.0 110.575 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.33 -10.01 75.67 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.561 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 62.2 mtpt -115.23 -33.74 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.192 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.496 ' HD1' HG23 ' A' ' 61' ' ' ILE . 53.7 p90 -152.86 161.49 42.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.381 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -121.98 128.75 51.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.704 HG22 ' HB ' ' A' ' 82' ' ' VAL . 47.3 pt -127.95 137.23 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.947 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 20.7 ptp180 -140.18 159.16 42.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.11 0.481 . . . . 0.0 111.432 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.806 HD13 HG21 ' A' ' 94' ' ' ILE . 90.5 mt -109.25 147.28 32.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.371 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.4 p -148.14 162.19 39.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.983 0.421 . . . . 0.0 110.653 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -64.36 -177.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.639 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -59.2 -46.56 88.11 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.915 179.088 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.557 ' O ' ' NE ' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.557 ' NE ' ' O ' ' A' ' 78' ' ' GLY . 6.1 mmp_? -120.06 161.02 21.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.451 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.878 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.6 OUTLIER -55.61 142.66 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.528 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 88.1 mt -117.22 128.87 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.943 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.83 HG22 ' CG1' ' A' ' 117' ' ' ILE . 48.7 t -118.68 121.22 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.733 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.574 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 33.3 m120 -105.73 121.49 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.061 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.084 ' CG1' ' HB3' ' A' ' 119' ' ' ALA . 3.9 mp -123.67 128.01 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.148 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -97.67 132.06 43.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.133 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.529 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -154.53 151.52 28.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.365 . . . . 0.0 110.84 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.58 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 40.7 t -67.26 144.53 55.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.683 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.5 ' HE3' ' OD2' ' A' ' 50' ' ' ASP . 62.6 mtpt -61.21 -39.13 89.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.211 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.567 HD23 ' NH2' ' A' ' 32' ' ' ARG . 89.2 mt -62.59 -39.02 92.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.706 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.58 ' OD1' ' O ' ' A' ' 87' ' ' SER . 53.3 p30 -99.55 23.76 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.556 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.92 ' O ' HG22 ' A' ' 94' ' ' ILE . 87.7 t80 -58.43 -48.81 79.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.81 -43.34 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.132 0.491 . . . . 0.0 110.228 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -60.7 -40.81 93.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.023 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.92 HG22 ' O ' ' A' ' 91' ' ' PHE . 7.4 tp -58.14 -29.48 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.453 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.581 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 31.9 mm -62.25 -46.18 97.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.652 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.92 -42.84 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.976 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.8 ' ND2' HD21 ' A' ' 122' ' ' LEU . 64.9 t30 -75.08 -50.97 14.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.732 0.301 . . . . 0.0 111.736 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.693 ' NZ ' HD21 ' A' ' 63' ' ' LEU . 39.2 ttpt -64.17 -43.05 96.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.978 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.729 HD21 HD11 ' A' ' 103' ' ' ILE . 10.4 tt -59.15 -42.67 91.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.102 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.82 -38.86 89.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.617 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.681 ' HB3' ' HZ3' ' A' ' 105' ' ' LYS . 50.6 mmtm -62.56 -39.32 93.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.259 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.97 HG22 HD11 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -71.58 -39.07 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.857 -178.449 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.775 ' O ' HG22 ' A' ' 106' ' ' ILE . 89.5 mt -61.34 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.71 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.55 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 88.8 tt0 -65.07 -43.08 93.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 110.533 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.681 ' HZ3' ' HB3' ' A' ' 101' ' ' LYS . 62.8 mttp -63.25 -41.37 99.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.085 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.775 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.3 tt -70.2 -29.81 41.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.639 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.5 -43.79 98.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.496 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.55 ' NZ ' ' HG2' ' A' ' 104' ' ' GLU . 38.4 mtmm -92.39 -29.46 16.3 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.226 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.645 HD13 ' CZ ' ' A' ' 114' ' ' TYR . 3.0 pp -156.74 144.16 19.0 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.28 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.73 144.72 50.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.042 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.97 HD11 HG22 ' A' ' 102' ' ' ILE . 90.8 mt -64.44 -35.85 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.542 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.561 ' OD1' ' O ' ' A' ' 58' ' ' LYS . 98.7 m-20 -61.03 -16.51 44.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.941 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.479 ' HD2' ' HB2' ' A' ' 109' ' ' LEU . 97.9 mttt -63.98 -38.47 91.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.001 0.429 . . . . 0.0 110.023 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.878 ' O ' HD11 ' A' ' 80' ' ' LEU . 49.0 m-85 -81.08 130.97 35.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.161 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.531 ' HD3' ' O ' ' A' ' 131' ' ' LYS . 60.4 ttt85 -63.58 -43.16 97.8 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.618 178.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -148.52 124.43 10.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.83 ' CG1' HG22 ' A' ' 82' ' ' VAL . 28.4 pt -126.94 150.64 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.574 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 48.6 t30 -144.89 114.49 7.2 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.819 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.084 ' HB3' ' CG1' ' A' ' 84' ' ' ILE . . . -83.01 152.31 25.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.881 179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 70.5 p -127.46 162.25 26.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.759 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.575 ' OD1' ' CB ' ' A' ' 124' ' ' HIS . 48.5 p-10 -59.23 175.19 0.33 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.8 HD21 ' ND2' ' A' ' 97' ' ' ASN . 96.3 mt -62.1 -40.46 95.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.504 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.69 -34.61 78.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.963 0.411 . . . . 0.0 110.641 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.579 ' ND1' ' O ' ' A' ' 125' ' ' ASP . 63.8 t-80 -93.17 164.04 13.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.829 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.579 ' O ' ' ND1' ' A' ' 124' ' ' HIS . 97.9 m-20 -98.26 157.78 15.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.669 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.899 ' O ' HG23 ' A' ' 139' ' ' VAL . 14.7 tt -109.23 138.82 34.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.054 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' A' ' 125' ' ' ASP . 0.6 OUTLIER -127.94 150.5 49.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.717 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.789 ' SG ' HG22 ' A' ' 117' ' ' ILE . 54.0 t -132.43 125.98 32.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.43 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.48 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -109.7 129.45 55.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.618 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -59.9 -48.97 79.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.446 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 37.9 ttmt -117.51 6.8 12.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.135 0.493 . . . . 0.0 110.027 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.48 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 96.9 -21.37 46.48 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.533 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 92.1 m-85 -151.25 115.5 5.05 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.534 ' HE3' ' HB3' ' A' ' 136' ' ' LYS . 31.7 ttpt 174.15 161.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.572 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 10.6 t -68.62 -19.15 64.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.534 ' HB3' ' HE3' ' A' ' 134' ' ' LYS . 88.0 tttt -92.96 117.23 29.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.952 0.406 . . . . 0.0 110.794 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -151.32 158.47 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.504 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 128' ' ' CYS . 88.9 tt0 -114.49 128.24 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.212 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.6 p -133.55 142.45 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.885 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.571 ' OXT' HG22 ' A' ' 126' ' ' ILE . 85.4 mt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 43.6 ttm180 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.803 0.335 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.582 ' OE2' HD11 ' A' ' 89' ' ' LEU . 16.4 tm-20 -61.15 -41.72 97.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.433 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -59.92 -48.76 80.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.403 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.555 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -61.36 -40.36 93.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.561 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 99.1 mm-40 -63.28 -39.38 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.374 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.559 ' CG ' ' HB3' ' A' ' 88' ' ' LYS . 16.5 tm-20 -63.01 -40.64 98.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.921 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.4 tpt -60.36 -47.96 83.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.156 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.64 ' HB2' ' HZ3' ' A' ' 35' ' ' LYS . 7.5 p-10 -69.42 -39.01 78.13 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.487 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -61.27 -40.15 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.423 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.827 HD11 ' CD2' ' A' ' 45' ' ' LEU . 60.7 tp -59.91 -39.76 86.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.61 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.45 -39.58 88.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.679 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.64 ' HZ3' ' HB2' ' A' ' 31' ' ' ASP . 13.8 mptt -61.72 -39.55 91.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.168 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.952 ' O ' HD13 ' A' ' 40' ' ' LEU . . . -61.13 -39.71 91.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.411 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.71 ' HD1' HD12 ' A' ' 45' ' ' LEU . 92.1 t80 -58.2 -46.61 85.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tm-20 -59.46 -39.59 84.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.661 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -97.16 15.84 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.12 0.486 . . . . 0.0 110.109 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.952 HD13 ' O ' ' A' ' 36' ' ' ALA . 1.5 mp -109.96 72.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.786 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.1 129.12 38.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.04 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.628 ' O ' ' CE3' ' A' ' 43' ' ' TRP . . . 82.53 2.16 90.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.414 -0.675 . . . . 0.0 111.414 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.637 ' CZ3' ' CZ ' ' A' ' 56' ' ' PHE . 9.3 m95 -123.08 147.34 46.83 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -135.44 145.43 47.21 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.525 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.827 ' CD2' HD11 ' A' ' 33' ' ' LEU . 2.6 mp -129.91 145.3 51.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.287 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.1 m -118.48 129.05 55.15 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.833 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.3 p -81.06 -28.23 35.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.8 ptp -50.75 -29.87 12.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.626 ' O ' ' C ' ' A' ' 50' ' ' ASP . 64.1 tttm -148.64 67.39 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.564 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 95.6 m-20 0.87 68.11 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.712 0.632 . . . . 0.0 111.294 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.7 t -150.93 148.71 28.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.206 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.548 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -127.32 152.12 47.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.792 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.544 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 53.5 p90 -143.76 157.74 44.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.03 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.62 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 29.6 mmtp -121.15 145.72 47.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.474 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -114.39 104.26 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.987 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.637 ' CZ ' ' CZ3' ' A' ' 43' ' ' TRP . 97.0 m-85 -96.66 -14.84 21.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.009 0.433 . . . . 0.0 110.276 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.13 -12.03 67.6 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -115.86 -28.08 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.605 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 1.074 ' CE2' HD21 ' A' ' 111' ' ' LEU . 53.0 p90 -154.46 160.92 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.819 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -114.72 127.63 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.74 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.702 HG22 ' HB ' ' A' ' 82' ' ' VAL . 43.6 pt -129.27 138.97 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.95 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 9.2 ptm180 -134.77 157.07 47.68 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.154 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.649 HD11 HD12 ' A' ' 84' ' ' ILE . 8.1 mp -106.83 146.78 30.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.033 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 90.9 p -148.16 163.23 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.996 0.427 . . . . 0.0 110.913 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.449 ' CG ' ' H ' ' A' ' 66' ' ' HIS . 52.0 t30 -56.35 -168.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.621 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.544 ' O ' ' HD2' ' A' ' 85' ' ' LYS . 62.5 m170 -61.68 -39.7 92.35 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.623 179.008 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -129.44 153.63 47.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.61 0.243 . . . . 0.0 110.465 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.773 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.4 OUTLIER -55.98 139.09 47.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.95 127.39 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.701 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.933 HG22 ' CD1' ' A' ' 117' ' ' ILE . 53.6 t -116.53 123.13 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.813 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.565 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 84.8 m-20 -103.87 123.16 46.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.29 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.716 HG12 ' HB3' ' A' ' 119' ' ' ALA . 84.6 mt -119.27 126.3 75.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.538 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.544 ' HD2' ' O ' ' A' ' 66' ' ' HIS . 57.9 mtmt -101.97 123.48 45.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.369 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.497 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -161.39 151.95 17.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.536 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.3 p -71.75 159.58 34.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.251 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.559 ' HB3' ' CG ' ' A' ' 29' ' ' GLU . 98.3 mttt -62.83 -40.1 96.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.353 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 89' ' ' LEU . 7.7 mp -63.83 -38.56 91.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.428 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -99.33 17.72 19.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.521 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.758 ' CE2' HD21 ' A' ' 45' ' ' LEU . 87.9 t80 -57.98 -49.22 77.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.544 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 95' ' ' ILE . 8.0 p -71.44 -33.13 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.073 0.463 . . . . 0.0 110.307 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.42 -39.38 94.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.245 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 91' ' ' PHE . 7.1 tp -65.92 -36.76 78.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.497 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 92' ' ' VAL . 44.1 pt -75.38 -24.94 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.879 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.577 ' OE1' ' OD1' ' A' ' 97' ' ' ASN . 16.5 tm-20 -62.05 -45.58 92.91 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.477 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.577 ' OD1' ' OE1' ' A' ' 96' ' ' GLU . 86.4 m-20 -90.86 -36.46 14.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.821 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.897 ' NZ ' ' HB2' ' A' ' 119' ' ' ALA . 59.1 tptt -64.34 -43.43 94.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.967 0.413 . . . . 0.0 110.338 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.577 HD11 ' HB ' ' A' ' 95' ' ' ILE . 85.9 mt -61.89 -41.37 97.81 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.459 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.23 -39.47 94.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.6 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.746 ' C ' ' HZ3' ' A' ' 105' ' ' LYS . 34.7 mmtp -65.72 -40.45 92.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.862 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 99' ' ' LEU . 45.4 pt -72.12 -39.14 64.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.977 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 99' ' ' LEU . 31.1 mm -62.75 -45.57 98.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.826 0.346 . . . . 0.0 110.43 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.35 -44.27 91.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.746 ' HZ3' ' C ' ' A' ' 101' ' ' LYS . 37.8 mtmm -63.4 -40.6 97.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.534 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 79.9 mt -61.95 -44.48 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.797 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.64 -39.61 88.91 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.317 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -87.45 -31.04 20.24 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.983 HD13 ' OH ' ' A' ' 114' ' ' TYR . 2.8 pp -157.42 138.68 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.726 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.533 ' HB3' ' OD1' ' A' ' 112' ' ' ASP . 99.0 m-20 -65.65 138.61 58.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.35 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 1.074 HD21 ' CE2' ' A' ' 59' ' ' TYR . 3.4 pp -80.03 -21.04 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.048 0.452 . . . . 0.0 110.146 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.533 ' OD1' ' HB3' ' A' ' 110' ' ' ASP . 60.0 p30 -71.22 -12.86 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.5 ' HG2' ' HB2' ' A' ' 110' ' ' ASP . 31.6 mmmt -64.41 -39.2 93.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.25 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.983 ' OH ' HD13 ' A' ' 109' ' ' LEU . 9.1 m-85 -75.06 133.86 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.241 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 130' ' ' TYR . 57.5 mmm-85 -63.58 -39.64 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.928 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.445 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 94.3 t80 -145.87 126.53 14.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.105 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.984 HG22 ' HB3' ' A' ' 128' ' ' CYS . 26.6 pt -127.38 151.26 34.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.363 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.565 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 64.9 t30 -147.72 139.17 23.74 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.875 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.897 ' HB2' ' NZ ' ' A' ' 98' ' ' LYS . . . -112.33 154.36 25.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.995 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.576 ' O ' ' O ' ' A' ' 121' ' ' ASN . 71.2 p -127.37 161.33 28.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.467 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.576 ' O ' ' O ' ' A' ' 120' ' ' THR . 55.9 t30 -39.28 169.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.461 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 122' ' ' LEU . 92.4 mt -60.96 -40.34 92.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.409 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.79 -34.1 77.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.105 0.479 . . . . 0.0 109.939 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.547 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 66.3 m170 -78.55 163.46 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.695 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.518 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.0 m-20 -98.04 162.78 13.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.409 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.808 ' O ' HG23 ' A' ' 139' ' ' VAL . 16.4 tt -109.12 136.22 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.532 ' NZ ' ' CE1' ' A' ' 129' ' ' TYR . 10.3 ptmm? -145.87 141.59 27.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.77 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.984 ' HB3' HG22 ' A' ' 117' ' ' ILE . 72.0 m -131.53 150.65 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.532 ' CE1' ' NZ ' ' A' ' 127' ' ' LYS . 98.9 m-85 -117.83 141.97 47.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.355 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.514 ' O ' ' HG2' ' A' ' 115' ' ' ARG . 76.0 m-85 -63.4 -40.36 97.0 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.706 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.499 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 16.8 ptpt -117.68 9.97 13.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.982 0.42 . . . . 0.0 110.435 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.445 ' HA2' ' HB3' ' A' ' 116' ' ' PHE . . . 91.63 -12.86 68.2 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.517 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 83.5 t80 -160.91 116.42 2.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' A' ' 135' ' ' THR . 59.8 tptt 174.83 161.06 0.21 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.391 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.539 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 11.4 t -67.7 -10.11 49.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.132 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.452 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 75.5 mmtt -101.49 119.82 39.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.427 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 64.9 pttt -150.4 158.74 44.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 127' ' ' LYS . 52.5 tp10 -109.16 129.31 55.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.282 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.1 p -133.68 139.77 48.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.634 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.788 HD12 HG23 ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.548 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 25.1 ptp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.64 95.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -153.49 161.31 42.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.933 0.396 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.24 -10.95 73.58 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.591 ' O ' ' C ' ' A' ' 6' ' ' SER . 64.8 mttp -117.16 -19.63 9.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 0.0 110.428 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.591 ' C ' ' O ' ' A' ' 5' ' ' LYS . 2.8 m 12.13 -105.21 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.576 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.604 ' N ' ' HD2' ' A' ' 7' ' ' ARG . 2.4 mpt_? -62.23 -40.16 95.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.074 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.587 ' N ' ' O ' ' A' ' 5' ' ' LYS . 97.9 m-85 -89.71 87.73 7.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.402 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.95 -39.38 94.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.443 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -149.35 150.78 33.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.16 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.658 ' CD2' ' NH2' ' A' ' 14' ' ' ARG . 98.7 m-85 -71.68 97.4 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.004 0.431 . . . . 0.0 110.452 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -62.13 -41.98 98.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.084 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -73.96 66.44 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.139 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.658 ' NH2' ' CD2' ' A' ' 11' ' ' TYR . 90.7 mmt-85 -130.97 145.97 52.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.514 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 87.0 p -70.74 -20.79 62.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.797 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.638 ' CD1' ' O ' ' A' ' 14' ' ' ARG . 93.7 m-85 56.31 27.74 12.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.603 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.508 ' O ' ' HD2' ' A' ' 18' ' ' ARG . 54.4 p30 -83.39 178.33 8.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.761 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.508 ' HD2' ' O ' ' A' ' 17' ' ' ASN . 31.1 mmm180 -135.44 148.47 49.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.1 t -65.61 139.17 58.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.521 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -128.97 28.24 5.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm -128.44 147.86 50.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.498 ' HG2' ' H ' ' A' ' 25' ' ' GLU . 20.1 pm0 -75.81 155.29 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.427 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -64.05 -24.05 67.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HB3' ' HG3' ' A' ' 22' ' ' GLN . 23.6 tpp180 -60.49 -44.85 95.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.732 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' H ' ' HG2' ' A' ' 22' ' ' GLN . 88.9 tt0 -61.36 -43.87 98.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.496 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -64.4 -40.5 95.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.52 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.03 98.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.466 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.04 -41.2 97.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.201 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HG2' HD13 ' A' ' 89' ' ' LEU . 98.5 mt-10 -63.82 -39.12 93.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.45 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 ttp -60.28 -45.93 91.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.772 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.43 -41.97 98.02 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.248 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.518 ' C ' ' HD2' ' A' ' 32' ' ' ARG . 8.2 tmm_? -63.15 -43.0 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.024 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.576 HD11 ' CD2' ' A' ' 91' ' ' PHE . 63.0 tp -61.7 -44.11 97.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.817 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.13 -42.11 97.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.467 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -60.62 -43.55 97.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.521 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.758 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.15 -40.35 93.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.719 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.977 ' CD1' HD11 ' A' ' 45' ' ' LEU . 31.2 m-85 -66.09 -36.78 84.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.798 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.45 -40.91 92.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.519 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -96.44 6.93 47.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.686 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.034 HD12 ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -95.84 99.79 11.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 0.0 110.709 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.7 t0 -66.87 132.63 48.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.787 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.579 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 86.63 8.35 77.11 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.67 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 1.034 ' CD1' HD12 ' A' ' 40' ' ' LEU . 95.5 m95 -116.95 139.49 50.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.813 0.339 . . . . 0.0 110.248 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 67.3 m-85 -135.08 147.89 49.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.973 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.977 HD11 ' CD1' ' A' ' 37' ' ' PHE . 94.0 mt -120.36 139.8 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.655 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 40.3 t -120.38 128.68 53.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.355 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.5 p -66.42 -36.63 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.761 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.05 -45.42 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.851 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.624 ' O ' ' C ' ' A' ' 50' ' ' ASP . 23.2 pttp -117.14 39.48 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.771 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.624 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.4 t0 -3.3 74.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.62 0.575 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 49' ' ' LYS . 94.0 p -153.18 163.53 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.711 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.921 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -125.01 149.45 47.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.728 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.2 p90 -149.81 160.72 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.654 ' CE ' ' CZ ' ' A' ' 56' ' ' PHE . 26.3 ttpt -133.21 129.85 38.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.053 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.559 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 59.5 p30 -106.1 138.57 42.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.965 0.412 . . . . 0.0 111.025 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.654 ' CZ ' ' CE ' ' A' ' 54' ' ' LYS . 90.0 m-85 -102.31 -0.65 32.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.252 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.36 -9.8 76.35 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 99.4 mttt -114.62 -28.75 7.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 110.44 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 1.135 ' CE2' HD21 ' A' ' 111' ' ' LEU . 53.2 p90 -155.0 161.27 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.527 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.818 ' O ' HD12 ' A' ' 81' ' ' ILE . 88.8 tt0 -112.15 128.9 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.946 0.403 . . . . 0.0 111.158 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.685 HG22 ' HB ' ' A' ' 82' ' ' VAL . 48.1 pt -129.0 138.44 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.841 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.611 ' C ' HD12 ' A' ' 63' ' ' LEU . 17.2 ptm180 -133.73 153.87 51.38 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.999 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.792 HD11 HD12 ' A' ' 84' ' ' ILE . 11.1 mp -115.25 151.71 34.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.883 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.2 p -143.14 161.85 37.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.939 0.399 . . . . 0.0 110.899 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.508 ' ND2' ' HE3' ' A' ' 88' ' ' LYS . 10.6 t-20 -61.05 -164.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.956 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -61.14 -24.31 66.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.432 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.8 p -88.6 129.49 35.48 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.063 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.653 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -114.91 18.4 16.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -70.34 -12.18 61.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -106.3 2.61 26.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.726 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.653 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 22.0 ptmt -64.32 -24.45 67.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.77 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -84.32 140.15 31.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.637 ' CE1' ' O ' ' A' ' 75' ' ' LEU . 32.9 p80 -142.67 158.05 44.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.559 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.659 ' OD1' HD13 ' A' ' 75' ' ' LEU . 59.4 p30 -101.34 10.19 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.659 HD13 ' OD1' ' A' ' 74' ' ' ASP . 7.5 mp -112.37 129.88 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.832 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 50.8 mp0 -119.91 138.52 53.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.426 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.55 ' OD1' ' OE1' ' A' ' 60' ' ' GLU . 34.5 m120 -98.54 2.98 48.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.786 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.96 2.96 90.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 1.8 mpt_? -118.35 160.22 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.606 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.682 HD11 ' O ' ' A' ' 115' ' ' ARG . 0.3 OUTLIER -56.07 151.23 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.105 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 60' ' ' GLU . 10.8 tp -125.43 140.85 47.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.977 0.417 . . . . 0.0 110.592 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.924 HG22 ' CD1' ' A' ' 117' ' ' ILE . 60.4 t -121.02 125.66 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.483 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.555 ' HB2' ' OD1' ' A' ' 118' ' ' ASN . 98.5 m-20 -99.91 117.11 33.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.793 HG12 ' HB3' ' A' ' 119' ' ' ALA . 83.4 mt -117.76 127.11 75.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.084 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.619 ' CD ' ' HB2' ' A' ' 68' ' ' ALA . 37.9 mtmm -112.23 128.61 56.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.202 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.682 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -160.18 152.67 20.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.0 m -71.62 149.35 45.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.247 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' HE3' ' ND2' ' A' ' 65' ' ' ASN . 98.3 mttt -62.1 -39.93 94.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.491 HD12 ' NH2' ' A' ' 32' ' ' ARG . 62.3 tp -62.43 -42.22 99.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.404 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -99.55 15.54 26.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.565 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.661 ' O ' HG22 ' A' ' 94' ' ' ILE . 91.3 t80 -58.33 -48.43 80.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.621 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 95' ' ' ILE . 56.3 t -61.34 -42.83 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.114 0.483 . . . . 0.0 110.181 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.29 -40.83 97.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.297 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.682 HG12 ' HB2' ' A' ' 86' ' ' ALA . 4.1 tp -64.32 -35.91 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 92' ' ' VAL . 21.2 pt -76.94 -29.17 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.927 -178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 78.4 mm-40 -63.04 -43.58 98.26 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.7 m-20 -91.35 -34.76 14.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.817 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.655 ' HE2' ' HB2' ' A' ' 119' ' ' ALA . 28.9 tptp -64.06 -44.46 92.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.264 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 95' ' ' ILE . 2.3 mp -61.31 -41.65 97.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.754 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.73 -39.77 92.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.571 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 48.6 mmtm -63.28 -39.36 94.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.006 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.582 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -73.24 -41.13 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.48 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.813 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.5 mm -62.0 -46.45 96.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.69 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.37 -43.3 91.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.987 0.422 . . . . 0.0 110.578 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.5 mtpt -63.39 -40.77 98.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.131 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.813 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.3 tt -67.71 -31.0 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.706 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -62.16 -47.22 85.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.982 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.614 ' C ' HD23 ' A' ' 109' ' ' LEU . 58.7 mtmt -73.33 -39.3 65.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.152 0.501 . . . . 0.0 110.207 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.054 HD12 ' OH ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -157.14 142.56 17.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.433 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.45 142.79 58.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.653 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 1.135 HD21 ' CE2' ' A' ' 59' ' ' TYR . 1.4 pp -76.44 -11.76 59.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.351 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 113' ' ' LYS . 59.9 p30 -71.71 -13.22 61.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.551 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 98.3 mttt -64.71 -38.65 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.214 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 1.054 ' OH ' HD12 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -84.46 126.7 33.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.193 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.682 ' O ' HD11 ' A' ' 80' ' ' LEU . 60.6 ttt85 -62.77 -44.92 94.94 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.266 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.588 ' CE1' ' HG2' ' A' ' 115' ' ' ARG . 98.2 m-85 -129.87 126.11 37.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.939 HG22 ' HB3' ' A' ' 128' ' ' CYS . 37.8 pt -129.9 150.65 34.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.555 ' OD1' ' HB2' ' A' ' 83' ' ' ASN . 44.2 t30 -148.8 137.41 21.25 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.707 -178.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.793 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -109.94 150.2 28.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.648 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.599 HG21 ' CE1' ' A' ' 124' ' ' HIS . 57.9 p -127.02 161.51 28.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -42.75 151.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 1.072 HD12 ' N ' ' A' ' 123' ' ' GLU . 2.4 pp -46.51 -42.0 14.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.914 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 1.072 ' N ' HD12 ' A' ' 122' ' ' LEU . 88.7 tt0 -66.17 -36.26 82.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.08 0.467 . . . . 0.0 109.826 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.599 ' CE1' HG21 ' A' ' 120' ' ' THR . 62.8 t-80 -76.97 164.47 25.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.199 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.516 ' N ' ' ND1' ' A' ' 124' ' ' HIS . 98.3 m-20 -97.51 151.08 20.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.876 0.37 . . . . 0.0 110.367 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.922 ' O ' HG23 ' A' ' 139' ' ' VAL . 15.7 tt -115.13 141.94 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.836 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.519 ' HB2' ' CE ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -150.8 154.24 36.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.939 ' HB3' HG22 ' A' ' 117' ' ' ILE . 71.8 m -129.66 152.31 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.56 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.495 ' O ' ' HB3' ' A' ' 114' ' ' TYR . 98.4 m-85 -117.86 137.12 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.267 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.619 ' CE1' ' HG3' ' A' ' 136' ' ' LYS . 52.4 m-85 -63.82 -40.13 95.89 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.118 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.491 ' HD2' ' C ' ' A' ' 130' ' ' TYR . 14.7 mptt -117.36 7.21 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.978 0.418 . . . . 0.0 110.397 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.475 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.55 -13.53 66.35 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.526 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 86.9 t80 -162.5 116.23 1.75 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.548 ' HG2' ' N ' ' A' ' 135' ' ' THR . 65.2 tttp 174.02 164.47 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.199 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.548 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 82.2 p -69.05 -17.88 63.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.619 ' HG3' ' CE1' ' A' ' 130' ' ' TYR . 60.1 tptt -94.64 117.68 30.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.105 0.479 . . . . 0.0 110.808 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.519 ' CE ' ' HB2' ' A' ' 127' ' ' LYS . 22.2 ptmt -150.72 158.99 44.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.38 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 127' ' ' LYS . 79.4 mm-40 -113.26 141.89 46.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.579 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.953 ' O ' HD13 ' A' ' 140' ' ' ILE . 11.3 p -138.5 141.62 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.953 HD13 ' O ' ' A' ' 139' ' ' VAL . 25.1 mm . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.544 ' HB2' ' H ' ' A' ' 4' ' ' GLY . 10.4 mmt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.03 96.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -109.89 -19.6 13.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.536 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.544 ' H ' ' HB2' ' A' ' 1' ' ' MET . . . 81.29 0.88 89.66 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -122.4 -16.51 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.689 0.281 . . . . 0.0 110.761 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 68.1 m -66.37 143.87 56.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.578 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 6' ' ' SER . 3.0 mpp_? 71.91 -31.14 0.22 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.368 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.496 ' H ' ' C ' ' A' ' 6' ' ' SER . 98.0 m-85 -100.95 11.94 38.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.885 0.374 . . . . 0.0 110.085 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.542 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 26.8 m120 -60.42 141.37 56.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.481 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.1 p -62.78 -21.92 66.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.759 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.52 ' O ' ' O ' ' A' ' 12' ' ' ARG . 85.2 m-85 -63.3 -38.76 92.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.542 ' HD2' ' O ' ' A' ' 9' ' ' ASN . 7.3 mpt_? 51.04 168.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.499 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -73.37 147.24 44.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.344 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -66.97 143.02 57.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.2 t -148.6 146.23 28.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.584 ' HD2' ' CZ ' ' A' ' 18' ' ' ARG . 94.4 m-85 -101.0 57.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.669 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.02 -40.36 95.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.493 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.584 ' CZ ' ' HD2' ' A' ' 16' ' ' PHE . 10.9 mpt_? 45.9 46.47 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.454 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 32.0 t -108.42 121.8 45.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.529 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.669 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 98.3 m-20 41.82 -121.92 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' HG2' ' C ' ' A' ' 20' ' ' ASN . 9.2 ptmm? 171.6 -25.61 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.802 0.334 . . . . 0.0 110.692 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.486 ' O ' ' HD1' ' A' ' 26' ' ' TYR . 98.4 mt-30 -132.68 151.94 51.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.755 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.525 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 8.2 tmm_? -60.34 -40.17 89.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.208 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.516 HH21 ' CB ' ' A' ' 27' ' ' ALA . 7.6 tpm_? -59.84 -39.59 85.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.164 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -59.99 -42.31 93.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.669 ' CZ ' ' HB2' ' A' ' 20' ' ' ASN . 81.1 m-85 -62.57 -41.05 98.69 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.222 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' CB ' HH21 ' A' ' 24' ' ' ARG . . . -62.46 -40.69 97.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -62.36 -41.18 98.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.414 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.576 ' CB ' ' NZ ' ' A' ' 88' ' ' LYS . 78.3 mm-40 -62.87 -39.26 93.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.576 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.49 ' SD ' ' HD2' ' A' ' 88' ' ' LYS . 96.1 mmm -61.97 -41.44 98.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.5 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.3 -41.71 98.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.948 0.404 . . . . 0.0 109.952 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -63.49 -42.12 98.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.26 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' O ' ' HD1' ' A' ' 37' ' ' PHE . 62.2 tp -60.93 -44.41 97.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.393 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.79 -40.77 96.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.301 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -60.38 -41.87 94.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.711 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.726 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.48 -41.06 93.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.68 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.124 ' CG ' HD11 ' A' ' 45' ' ' LEU . 40.4 m-85 -67.62 -34.8 77.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.841 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.1 -41.08 91.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.225 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -93.92 3.24 55.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.398 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.726 HD23 ' O ' ' A' ' 36' ' ' ALA . 1.1 mm? -103.08 93.74 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.74 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.487 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 98.8 m-20 -63.89 140.0 58.83 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.197 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 82.3 4.62 90.12 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.973 ' CH2' HG23 ' A' ' 95' ' ' ILE . 68.3 m95 -117.95 126.14 51.78 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 80.8 m-85 -139.49 148.85 43.24 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.61 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.124 HD11 ' CG ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -127.86 151.43 49.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.115 179.281 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.8 p -120.09 131.44 55.07 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.567 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -64.02 -43.31 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.498 ' HE3' ' HG3' ' A' ' 49' ' ' LYS . 67.5 ttp -60.5 -45.79 92.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.343 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.626 ' O ' ' C ' ' A' ' 50' ' ' ASP . 99.7 mttt -113.25 38.4 2.88 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.007 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 66.9 t0 -2.24 72.83 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.597 0.561 . . . . 0.0 111.197 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.1 t -149.1 148.94 30.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.431 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.96 141.96 40.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 51.9 p90 -146.55 160.12 42.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.611 ' HE2' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -145.48 149.42 34.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.893 0.378 . . . . 0.0 110.853 -179.735 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -115.06 110.38 19.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.267 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.592 ' CE1' ' HG3' ' A' ' 54' ' ' LYS . 96.8 m-85 -89.82 -7.8 53.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.331 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.6 -9.71 76.82 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -115.16 -36.22 4.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.939 0.4 . . . . 0.0 110.493 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.643 ' CE2' HD11 ' A' ' 106' ' ' ILE . 52.3 p90 -156.84 161.18 39.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.437 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.589 ' OE1' ' ND2' ' A' ' 77' ' ' ASN . 88.8 tt0 -108.61 129.56 55.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.942 0.401 . . . . 0.0 111.076 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.77 HG22 ' HB ' ' A' ' 82' ' ' VAL . 45.9 pt -126.23 138.92 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.84 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.509 ' NH1' ' HD2' ' A' ' 72' ' ' TYR . 41.3 ptt180 -122.35 152.3 40.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.951 0.405 . . . . 0.0 110.895 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.095 HD22 ' CE1' ' A' ' 91' ' ' PHE . 1.1 tt -110.08 131.33 55.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.921 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.755 ' N ' HD23 ' A' ' 63' ' ' LEU . 47.1 t -146.82 152.21 38.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.562 ' HB2' ' NZ ' ' A' ' 71' ' ' LYS . 52.3 t30 -55.4 -144.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.766 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.437 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 34.3 p-80 -58.2 -28.29 64.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.711 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.559 ' O ' ' OG ' ' A' ' 64' ' ' SER . 91.8 p -134.06 147.12 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.266 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' A' ' 64' ' ' SER . . . -115.13 -34.63 4.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.981 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.487 ' OD1' ' OD1' ' A' ' 74' ' ' ASP . 98.4 m-20 -61.93 -41.87 98.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.396 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.65 -44.66 95.7 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.915 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.562 ' NZ ' ' HB2' ' A' ' 65' ' ' ASN . 98.3 mttt -71.22 -38.75 71.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.022 0.439 . . . . 0.0 110.966 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.89 ' OH ' HD12 ' A' ' 75' ' ' LEU . 62.4 t80 -139.69 129.85 25.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.506 -178.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -70.35 142.47 52.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.358 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.487 ' OD1' ' OD1' ' A' ' 69' ' ' ASP . 98.7 m-20 -63.06 135.17 57.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.723 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.89 HD12 ' OH ' ' A' ' 72' ' ' TYR . 90.1 mt -134.54 146.93 50.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.535 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -98.84 113.75 26.02 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.353 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.589 ' ND2' ' OE1' ' A' ' 60' ' ' GLU . 98.5 m-20 -100.37 6.68 44.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.777 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.463 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . 80.59 2.6 89.86 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.591 ' NH2' ' OD2' ' A' ' 112' ' ' ASP . 30.9 mmm180 -130.14 157.98 40.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.321 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.762 HD11 ' O ' ' A' ' 114' ' ' TYR . 2.6 mm? -56.41 141.54 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.764 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.0 mt -116.95 124.36 72.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.667 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.828 HG13 HG22 ' A' ' 117' ' ' ILE . 89.4 t -122.63 127.24 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.229 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.522 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 53.4 p30 -113.88 153.08 29.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.562 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.792 ' HA ' ' HB3' ' A' ' 119' ' ' ALA . 89.6 mt -124.66 128.27 73.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.74 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 64' ' ' SER . 58.4 mtmt -101.77 120.32 40.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.34 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.85 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -158.9 155.75 28.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.1 p -71.35 161.31 31.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.576 ' NZ ' ' CB ' ' A' ' 29' ' ' GLU . 29.4 ttpp -60.86 -42.97 98.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.592 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.604 HD23 ' OD1' ' A' ' 90' ' ' ASN . 9.9 tt -62.69 -42.8 99.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.34 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.604 ' OD1' HD23 ' A' ' 89' ' ' LEU . 98.6 m-20 -101.07 16.43 25.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.324 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 1.095 ' CE1' HD22 ' A' ' 63' ' ' LEU . 78.1 t80 -58.26 -49.46 77.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.594 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.663 ' HA ' HD12 ' A' ' 95' ' ' ILE . 9.8 p -70.34 -33.61 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.962 0.411 . . . . 0.0 109.997 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -61.81 -42.22 98.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.61 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.85 HG12 ' HB2' ' A' ' 86' ' ' ALA . 4.3 tp -60.04 -29.72 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.038 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.973 HG23 ' CH2' ' A' ' 43' ' ' TRP . 88.0 mt -60.76 -46.45 96.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.263 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.678 ' OE1' ' ND2' ' A' ' 97' ' ' ASN . 15.8 tm-20 -63.82 -46.47 84.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.808 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.678 ' ND2' ' OE1' ' A' ' 96' ' ' GLU . 9.5 m120 -70.52 -41.74 72.19 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.765 ' HG2' HG23 ' A' ' 84' ' ' ILE . 14.0 mptt -74.16 -41.25 61.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.308 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.757 HD13 HD11 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -61.42 -42.59 98.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.076 0.465 . . . . 0.0 109.946 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.548 ' OD2' ' OE2' ' A' ' 96' ' ' GLU . 98.9 m-20 -63.5 -39.26 93.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.6 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 33.6 mmtp -64.75 -39.53 93.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.71 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.757 HD11 HD13 ' A' ' 99' ' ' LEU . 43.1 pt -73.15 -36.07 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.886 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 99' ' ' LEU . 28.4 mm -62.13 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.091 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.06 -42.18 98.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.331 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.852 ' HD2' HD11 ' A' ' 109' ' ' LEU . 17.9 tppt? -60.43 -45.21 94.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.159 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.643 HD11 ' CE2' ' A' ' 59' ' ' TYR . 78.5 mt -61.58 -44.25 98.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.495 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.69 -39.84 89.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.332 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.658 ' HB2' HD23 ' A' ' 109' ' ' LEU . 75.5 mmtt -84.26 -34.04 23.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.038 0.447 . . . . 0.0 109.904 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.852 HD11 ' HD2' ' A' ' 105' ' ' LYS . 1.0 OUTLIER -157.19 138.64 13.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.21 179.607 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.72 140.46 58.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.858 0.361 . . . . 0.0 111.01 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.58 HD12 HD11 ' A' ' 106' ' ' ILE . 95.4 mt -70.15 -22.63 62.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.945 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.591 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 98.5 m-20 -61.35 -22.61 65.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.403 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -64.04 -39.48 94.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.172 0.511 . . . . 0.0 109.983 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.762 ' O ' HD11 ' A' ' 80' ' ' LEU . 83.4 m-85 -77.91 151.96 33.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.107 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.734 ' CA ' HD11 ' A' ' 80' ' ' LEU . 41.6 mmt180 -105.62 -25.86 12.09 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.75 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.643 ' C ' HD12 ' A' ' 117' ' ' ILE . 90.4 t80 -144.81 127.08 15.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.954 0.407 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.828 HG22 HG13 ' A' ' 82' ' ' VAL . 1.2 mp -131.09 135.45 59.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.44 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.54 ' O ' HG13 ' A' ' 126' ' ' ILE . 65.4 t30 -135.14 110.74 9.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.976 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.792 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -84.04 149.36 26.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.49 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.563 ' O ' ' O ' ' A' ' 121' ' ' ASN . 70.7 p -129.21 161.32 30.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.593 ' ND2' ' OE1' ' A' ' 123' ' ' GLU . 54.0 t30 -41.95 174.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.599 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.486 HD21 ' OD1' ' A' ' 97' ' ' ASN . 88.3 mt -61.24 -40.24 93.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.766 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.593 ' OE1' ' ND2' ' A' ' 121' ' ' ASN . 60.3 mp0 -66.47 -34.73 78.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 109.882 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.544 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 64.3 m170 -88.28 154.18 20.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.526 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.43 164.39 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 1.112 ' O ' HG23 ' A' ' 139' ' ' VAL . 20.7 tt -109.67 141.3 25.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.771 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.558 ' HB2' ' CE ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -129.49 152.94 48.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.098 0.475 . . . . 0.0 111.342 -179.144 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.641 ' SG ' HG13 ' A' ' 117' ' ' ILE . 84.2 m -123.82 148.16 46.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.26 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.415 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.7 m-85 -117.25 134.7 54.49 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.519 ' O ' ' HG2' ' A' ' 115' ' ' ARG . 83.5 m-85 -64.05 -41.33 97.43 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.121 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.455 ' HA ' ' HG3' ' A' ' 115' ' ' ARG . 75.5 mmtt -111.99 5.21 18.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.423 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.578 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 91.93 -14.37 64.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 84.2 t80 -162.4 115.37 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 39.4 ttmt 174.58 164.89 0.24 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.888 0.375 . . . . 0.0 110.591 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.523 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 96.1 m -66.52 -40.08 88.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.143 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.472 ' O ' ' HD1' ' A' ' 130' ' ' TYR . 75.6 mmtt -75.73 118.88 19.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.302 0.572 . . . . 0.0 111.114 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.558 ' CE ' ' HB2' ' A' ' 127' ' ' LYS . 22.0 ptmt -151.35 158.42 43.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.152 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.589 ' CD ' ' NZ ' ' A' ' 105' ' ' LYS . 88.6 tt0 -120.3 131.37 54.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 0.0 110.446 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 1.112 HG23 ' O ' ' A' ' 126' ' ' ILE . 8.0 p -131.51 140.83 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.688 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.451 HD11 ' HE2' ' A' ' 105' ' ' LYS . 86.8 mt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.584 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.59 153.0 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.668 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 61.09 5.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' HA3' ' CZ ' ' A' ' 12' ' ' ARG . . . -61.42 -42.13 99.7 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 9' ' ' ASN . 33.8 mmtp -64.72 -39.26 93.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.896 0.379 . . . . 0.0 110.549 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.495 ' CB ' ' HD1' ' A' ' 11' ' ' TYR . 18.7 t 64.23 -156.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.37 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.532 ' CD ' ' N ' ' A' ' 7' ' ' ARG . 11.5 mpt_? -62.38 -40.3 96.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.325 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.624 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 93.6 t80 -167.35 63.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.236 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 5' ' ' LYS . 49.8 t-20 53.33 42.87 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.497 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.1 m -87.36 -9.61 54.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.227 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.543 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 93.8 m-85 -129.85 150.33 51.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.184 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HB3' ' O ' ' A' ' 11' ' ' TYR . 38.5 ttm180 79.57 37.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.4 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -102.98 11.05 37.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -125.06 138.76 54.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.81 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 16' ' ' PHE . 70.6 m -96.58 -0.8 48.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' A' ' 15' ' ' SER . 93.2 m-85 71.47 177.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.442 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.501 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 58.1 t30 -158.09 155.5 29.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.89 0.376 . . . . 0.0 111.071 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 99.7 mtt180 69.82 -137.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.544 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -70.43 157.82 37.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.863 0.363 . . . . 0.0 110.811 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -116.15 -8.61 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.991 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -129.06 156.82 43.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.014 0.435 . . . . 0.0 111.043 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.419 ' HG3' ' H ' ' A' ' 24' ' ' ARG . 72.3 tp60 -51.76 142.87 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.572 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -61.0 -39.34 89.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.902 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 72.3 ttp85 -60.0 -46.67 88.72 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.973 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -64.54 -41.44 96.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.159 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.486 ' CE1' ' NZ ' ' A' ' 88' ' ' LYS . 89.6 t80 -59.89 -48.4 81.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.503 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.4 94.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.521 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -62.2 -41.66 98.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.771 ' OE1' HD22 ' A' ' 89' ' ' LEU . 54.1 tp10 -61.97 -41.97 98.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.563 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.597 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 28.1 ttt -60.5 -44.79 95.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.573 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.53 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 98.5 m-20 -60.85 -38.48 85.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.507 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.59 ' NH1' ' CD1' ' A' ' 89' ' ' LEU . 79.8 ttt180 -59.84 -37.16 78.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.765 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.93 -39.21 84.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.334 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.597 ' OE1' ' O ' ' A' ' 30' ' ' MET . 53.3 mp0 -61.9 -39.94 93.72 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.104 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -60.97 -44.2 97.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.27 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.796 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.53 -39.15 89.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.525 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 76.7 t80 -57.99 -47.13 83.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.464 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.94 -39.26 81.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.776 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.23 8.18 43.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.191 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.869 HD12 ' CD1' ' A' ' 43' ' ' TRP . 1.7 mm? -113.03 86.82 2.45 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.911 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.565 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 59.4 p30 -67.9 141.05 56.51 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.22 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.45 6.99 88.8 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.651 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.869 ' CD1' HD12 ' A' ' 40' ' ' LEU . 99.7 m95 -118.4 140.75 49.37 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.692 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.666 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 79.8 m-85 -136.96 147.27 46.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.098 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.797 HD21 ' HB2' ' A' ' 52' ' ' ALA . 88.2 mt -116.87 141.88 47.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 68.9 m -115.68 129.03 56.33 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.368 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 t -65.91 -42.96 89.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.53 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.3 ptp -61.25 -29.7 70.0 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.959 0.409 . . . . 0.0 110.599 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.613 ' O ' ' C ' ' A' ' 50' ' ' ASP . 26.0 pttm -140.25 54.46 1.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.363 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.613 ' C ' ' O ' ' A' ' 49' ' ' LYS . 38.9 t0 -17.81 86.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.986 0.422 . . . . 0.0 110.263 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.5 t -148.39 147.07 28.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.947 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.954 ' HB3' ' HZ ' ' A' ' 91' ' ' PHE . . . -112.42 144.33 42.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.233 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.666 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.1 p90 -148.97 160.49 43.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.989 0.423 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.612 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . 87.3 tttt -131.5 133.83 45.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.873 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -107.35 128.75 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.69 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.573 ' HZ ' ' HZ3' ' A' ' 54' ' ' LYS . 27.4 m-85 -104.5 -14.11 15.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.58 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.99 -9.71 77.08 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 14.4 mptt -115.39 -31.92 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 0.0 110.162 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.909 ' CD2' HD22 ' A' ' 111' ' ' LEU . 51.8 p90 -152.51 159.85 43.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.331 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.552 ' HB2' ' NE ' ' A' ' 79' ' ' ARG . 88.9 tt0 -103.41 128.89 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.107 0.48 . . . . 0.0 111.458 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.623 HG21 ' HE1' ' A' ' 59' ' ' TYR . 44.1 pt -126.81 135.18 64.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.784 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.799 ' C ' HD12 ' A' ' 63' ' ' LEU . 9.9 ptp85 -142.32 157.53 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.49 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 63' ' ' LEU . 3.5 mp -119.73 144.47 47.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.902 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.1 p -147.87 163.75 35.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.008 0.432 . . . . 0.0 110.904 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 66' ' ' HIS . 2.1 t-20 -57.82 -161.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.607 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.46 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 53.3 p-80 -62.48 -19.91 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.617 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.2 m -93.63 125.57 38.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.355 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.57 ' HB1' ' OD1' ' A' ' 83' ' ' ASN . . . -114.36 23.25 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.911 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.0 p30 -68.6 -10.29 55.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.745 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -92.39 -0.4 57.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.467 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 65.0 pttt -64.2 -21.22 66.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.538 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -74.32 148.18 41.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.615 ' NE2' ' NH2' ' A' ' 62' ' ' ARG . 97.6 m-70 -129.34 148.5 51.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.564 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.59 ' CB ' HD13 ' A' ' 75' ' ' LEU . 98.5 m-20 -61.27 -39.56 90.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.636 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.877 HD13 ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -145.82 162.03 38.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.86 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -73.29 146.1 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.516 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -93.9 0.47 56.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.52 2.2 90.42 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.552 ' NE ' ' HB2' ' A' ' 60' ' ' GLU . 41.5 ptt180 -134.99 161.17 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.755 0.312 . . . . 0.0 110.474 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.832 HD11 ' CA ' ' A' ' 115' ' ' ARG . 3.9 mm? -59.58 143.93 48.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.594 HG23 HH22 ' A' ' 62' ' ' ARG . 50.9 mm -116.8 126.54 74.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.862 HG13 ' CG2' ' A' ' 117' ' ' ILE . 78.0 t -118.42 124.33 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.759 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.57 ' OD1' ' HB1' ' A' ' 68' ' ' ALA . 4.8 t-20 -106.75 112.04 24.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.389 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.759 HD13 ' HB3' ' A' ' 98' ' ' LYS . 87.5 mt -106.09 125.31 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.942 0.401 . . . . 0.0 110.738 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.547 ' HD2' ' HB2' ' A' ' 68' ' ' ALA . 59.9 mtpt -103.14 131.77 49.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.275 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.85 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -155.11 153.67 31.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.729 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 91' ' ' PHE . 69.8 m -68.83 149.72 48.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.36 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.556 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 62.2 mtpt -61.7 -40.4 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.546 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.771 HD22 ' OE1' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -64.56 -42.25 95.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.62 18.43 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.302 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.954 ' HZ ' ' HB3' ' A' ' 52' ' ' ALA . 93.1 t80 -58.32 -49.04 78.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.028 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.516 ' HA ' HD12 ' A' ' 95' ' ' ILE . 9.0 p -66.8 -37.3 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.159 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.438 ' N ' HG13 ' A' ' 92' ' ' VAL . 98.5 m-20 -62.39 -39.63 93.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.785 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.85 HG12 ' HB2' ' A' ' 86' ' ' ALA . 3.8 tp -63.29 -29.43 47.21 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.418 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.527 HG22 HD12 ' A' ' 99' ' ' LEU . 77.2 mt -61.57 -44.32 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.41 -47.46 86.0 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.379 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 34.7 m120 -75.18 -40.81 59.13 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.759 ' HB3' HD13 ' A' ' 84' ' ' ILE . 74.5 mmtt -65.78 -41.76 91.63 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.966 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.866 HD21 ' HZ2' ' A' ' 43' ' ' TRP . 74.8 mt -63.34 -40.22 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.326 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.56 -39.78 94.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.732 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.8 mmtt -63.54 -39.27 93.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.212 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.584 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.29 -43.18 31.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.759 -179.286 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.793 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.8 mm -61.75 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.39 -43.43 94.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.993 0.425 . . . . 0.0 110.569 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.4 mtpt -63.14 -40.83 98.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.172 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.793 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.0 tt -70.09 -30.5 44.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.662 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.77 -39.94 93.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -73.12 -38.22 66.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.153 0.501 . . . . 0.0 109.848 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.657 ' O ' HD12 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -156.98 149.62 23.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.691 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.41 148.87 51.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.909 HD22 ' CD2' ' A' ' 59' ' ' TYR . 8.5 mp -68.41 -7.21 29.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.289 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.516 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 98.4 m-20 -60.54 -36.19 77.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.452 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.553 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 68.4 mttm -63.78 -39.05 93.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.386 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.807 ' O ' HD21 ' A' ' 80' ' ' LEU . 52.2 m-85 -76.08 146.11 39.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.485 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.832 ' CA ' HD11 ' A' ' 80' ' ' LEU . 10.6 mpt_? -113.87 -33.41 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.71 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.584 ' C ' HD12 ' A' ' 117' ' ' ILE . 87.3 t80 -139.23 126.55 21.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.01 0.433 . . . . 0.0 110.796 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.862 ' CG2' HG13 ' A' ' 82' ' ' VAL . 1.3 mp -126.87 137.31 58.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.26 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.534 ' O ' HG13 ' A' ' 126' ' ' ILE . 67.2 t30 -138.38 111.22 7.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.69 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -95.6 146.08 24.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.739 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.594 ' O ' ' NZ ' ' A' ' 98' ' ' LYS . 9.9 m -127.4 160.32 31.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.155 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 124' ' ' HIS . 73.2 m-20 -38.41 150.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 123' ' ' GLU . 4.0 pp -46.87 -27.9 1.4 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.734 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.536 ' N ' HD12 ' A' ' 122' ' ' LEU . 99.0 mt-10 -66.08 -33.9 76.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.226 0.536 . . . . 0.0 109.574 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.557 ' HB2' ' CG2' ' A' ' 120' ' ' THR . 78.1 m80 -100.91 164.54 11.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.432 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.35 170.63 8.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.509 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.577 HD12 ' HB2' ' A' ' 119' ' ' ALA . 21.2 tt -108.7 135.47 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.049 0.452 . . . . 0.0 110.217 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.447 ' HG2' ' HB ' ' A' ' 139' ' ' VAL . 60.5 mtpt -124.64 148.08 48.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.363 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 138' ' ' GLU . 31.1 p -136.45 164.51 27.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.865 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.49 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.2 m-85 -117.28 138.71 51.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.063 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.62 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 69.1 t80 -59.87 -48.75 80.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.676 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.62 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 68.8 mttm -115.78 9.79 15.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.565 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.582 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 93.82 -15.95 61.94 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.538 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 82.8 t80 -161.89 115.72 1.87 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 23.4 ttmm 173.13 163.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.452 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.516 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 12.3 t -68.32 -21.83 64.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.981 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -82.83 128.7 34.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.465 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -150.73 158.46 44.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.62 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.601 ' HB3' ' SG ' ' A' ' 128' ' ' CYS . 88.9 tt0 -126.61 129.56 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.526 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 126' ' ' ILE . 11.6 p -139.28 141.68 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.531 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.502 HD13 ' HD2' ' A' ' 101' ' ' LYS . 13.1 tt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.606 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 ttp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.95 92.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.648 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -60.71 -27.5 67.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.38 -40.16 98.26 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -89.83 -4.24 57.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.739 0.304 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m 64.46 -149.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.407 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -91.23 70.16 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.4 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 57.0 31.89 20.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.32 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.7 m120 54.18 39.5 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.367 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.5 t 44.26 -156.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.784 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -69.86 -15.53 63.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.533 ' NE ' HH12 ' A' ' 14' ' ' ARG . 78.5 ttt-85 -60.89 127.37 31.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.737 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -157.25 129.88 7.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.695 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.533 HH12 ' NE ' ' A' ' 12' ' ' ARG . 84.0 mtt85 -138.74 151.26 46.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.956 0.408 . . . . 0.0 111.005 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.484 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 9.8 t 77.32 174.87 0.19 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.899 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -130.54 150.17 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.628 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.504 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 99.2 m-20 -61.56 -39.56 91.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.609 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 99.5 mtt180 67.49 -159.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.407 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m 56.51 38.13 29.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.836 0.35 . . . . 0.0 110.41 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.44 -39.15 92.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.797 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.561 ' HG2' ' HG3' ' A' ' 22' ' ' GLN . 86.1 tttt -140.59 146.31 37.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.283 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.561 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 85.1 mt-30 65.24 34.07 8.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.53 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 4.5 tmt_? -62.51 -41.69 99.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.792 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -60.49 -25.61 66.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.522 ' OE1' ' HB3' ' A' ' 22' ' ' GLN . 98.9 mt-10 -62.7 -39.71 94.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.454 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.12 -38.71 91.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.74 95.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.475 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.45 -39.78 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.293 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.554 ' HG2' ' CD2' ' A' ' 89' ' ' LEU . 98.3 mt-10 -62.67 -39.33 93.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.403 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.0 mtt -62.35 -40.62 97.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.83 -41.24 97.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.28 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.493 ' HD2' ' HA ' ' A' ' 89' ' ' LEU . 43.6 ttm180 -63.07 -42.14 99.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.28 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.83 -43.28 98.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.498 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.8 -40.3 94.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.083 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -63.09 -39.59 95.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.118 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.917 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.54 -39.31 90.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.68 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.453 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 77.6 t80 -57.89 -47.48 82.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.45 -38.43 84.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.64 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -96.27 14.61 23.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.328 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.917 HD23 ' O ' ' A' ' 36' ' ' ALA . 2.3 mm? -117.98 88.3 2.89 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.769 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 67.5 t0 -67.42 131.7 46.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.079 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 85.63 8.91 79.5 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.029 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.62 ' CZ3' HD13 ' A' ' 63' ' ' LEU . 94.3 m95 -118.8 138.06 52.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.929 0.364 . . . . 0.0 110.793 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.663 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 81.6 m-85 -137.68 146.14 43.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.686 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 51' ' ' SER . 2.7 mp -120.69 142.53 49.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.496 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -120.26 129.32 54.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.679 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.586 ' OG ' ' CE ' ' A' ' 48' ' ' MET . 89.7 p -64.25 -31.18 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.669 ' SD ' ' N ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -62.51 -40.23 96.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.694 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.62 ' O ' ' C ' ' A' ' 50' ' ' ASP . 15.2 ptpt -122.41 39.42 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.604 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.62 ' C ' ' O ' ' A' ' 49' ' ' LYS . 68.1 t0 0.56 69.55 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.44 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 49' ' ' LYS . 97.4 p -154.81 164.19 39.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.665 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -121.49 150.89 40.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.156 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.663 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.1 p90 -145.9 159.76 42.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.187 0.517 . . . . 0.0 111.251 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.828 ' NZ ' HD11 ' A' ' 99' ' ' LEU . 87.3 tttt -133.06 130.86 39.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.457 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 67.0 t0 -109.7 106.22 15.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.673 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.64 ' HE1' HD13 ' A' ' 61' ' ' ILE . 34.3 m-85 -78.31 -14.56 59.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.272 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 92.99 -9.55 75.13 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' C ' ' NH2' ' A' ' 79' ' ' ARG . 2.1 mptp? -114.07 -30.62 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.037 0.446 . . . . 0.0 110.041 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.775 ' OH ' HD11 ' A' ' 106' ' ' ILE . 51.0 p90 -153.08 158.45 41.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.549 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.881 ' OE1' HD22 ' A' ' 75' ' ' LEU . 88.8 tt0 -99.9 130.0 46.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.112 0.482 . . . . 0.0 111.397 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.664 HD11 ' HD3' ' A' ' 54' ' ' LYS . 45.4 pt -130.11 138.21 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.038 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.579 ' NH2' ' OE2' ' A' ' 60' ' ' GLU . 10.0 ptp180 -139.83 156.65 46.62 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.464 -0.495 . . . . 0.0 111.296 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.728 HD11 HD12 ' A' ' 84' ' ' ILE . 8.1 mp -113.11 147.78 36.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.171 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 92.9 p -145.77 162.74 36.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.087 0.47 . . . . 0.0 110.892 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.885 ' ND2' ' H ' ' A' ' 66' ' ' HIS . 3.2 t30 -69.25 -175.82 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.462 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.885 ' H ' ' ND2' ' A' ' 65' ' ' ASN . 56.3 t-80 -58.96 -46.15 88.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.8 m -65.87 141.93 58.09 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.48 ' HA ' ' HB2' ' A' ' 71' ' ' LYS . . . -99.59 16.89 21.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.21 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.73 -40.01 90.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.537 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.622 ' O ' ' CE1' ' A' ' 73' ' ' HIS . 57.9 t30 -104.82 3.58 31.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.606 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.561 ' NZ ' ' CG ' ' A' ' 85' ' ' LYS . 25.0 ttmm -60.62 -44.52 96.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.356 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -74.69 139.01 43.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.048 0.451 . . . . 0.0 110.899 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.622 ' CE1' ' O ' ' A' ' 70' ' ' ASN . 78.7 m80 -138.09 150.08 46.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.374 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -89.78 102.15 14.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.302 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.881 HD22 ' OE1' ' A' ' 60' ' ' GLU . 67.3 tp -112.96 121.75 45.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.747 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -92.33 -3.82 54.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.786 ' ND2' HD11 ' A' ' 75' ' ' LEU . 99.5 m-20 -63.45 -34.95 78.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.995 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.89 -0.09 79.52 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.674 ' HG2' HD21 ' A' ' 75' ' ' LEU . 9.6 ptm85 -75.62 159.18 31.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.58 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.931 HD23 ' O ' ' A' ' 114' ' ' TYR . 3.0 tm? -60.54 130.14 45.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.496 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.83 ' N ' HD13 ' A' ' 80' ' ' LEU . 84.9 mt -115.36 124.66 72.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.051 HG13 HG22 ' A' ' 117' ' ' ILE . 88.1 t -118.18 124.79 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.156 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.576 ' OD1' ' CG ' ' A' ' 62' ' ' ARG . 83.6 m-20 -107.26 134.58 50.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.735 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.728 HD12 HD11 ' A' ' 63' ' ' LEU . 85.6 mt -119.78 125.59 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.391 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.582 ' CE ' ' O ' ' A' ' 66' ' ' HIS . 61.8 mtpt -98.28 131.11 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.568 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.982 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -160.09 153.19 21.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 111.164 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.3 t -67.47 146.93 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.325 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 63.1 mttp -60.5 -40.19 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 110.148 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.554 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 86.9 mt -63.48 -39.42 94.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.107 0.48 . . . . 0.0 109.957 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -104.12 19.26 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.247 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.897 ' O ' HG22 ' A' ' 94' ' ' ILE . 88.0 t80 -58.31 -48.74 79.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.811 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.625 HG23 HD21 ' A' ' 40' ' ' LEU . 7.5 p -66.42 -38.2 81.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 110.399 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 92' ' ' VAL . 98.3 m-20 -62.87 -39.26 93.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.982 HG12 ' HB2' ' A' ' 86' ' ' ALA . 7.8 tp -61.89 -29.99 47.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.934 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.696 HD13 HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -70.82 -29.47 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.795 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.554 ' N ' HG13 ' A' ' 95' ' ' ILE . 88.9 tt0 -64.04 -44.37 92.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.986 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.533 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 27.7 t-20 -85.81 -47.37 9.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.698 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.678 ' HB3' HD13 ' A' ' 84' ' ' ILE . 73.8 mmtt -64.22 -41.28 97.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.521 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.866 ' CD2' HD11 ' A' ' 103' ' ' ILE . 7.5 tt -65.89 -40.75 91.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.22 0.534 . . . . 0.0 110.027 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.451 ' HA ' HD12 ' A' ' 103' ' ' ILE . 61.7 t0 -64.13 -40.4 96.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.584 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 73.4 mmtt -62.92 -40.06 96.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.941 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.615 ' O ' HD12 ' A' ' 106' ' ' ILE . 39.8 pt -72.43 -33.28 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.866 HD11 ' CD2' ' A' ' 99' ' ' LEU . 88.0 mt -62.25 -46.03 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.604 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.2 -42.45 96.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.214 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.846 ' HE2' HD12 ' A' ' 140' ' ' ILE . 98.1 mttt -62.39 -40.51 96.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.711 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.775 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -62.9 -38.14 81.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.965 0.412 . . . . 0.0 111.002 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.9 -41.43 96.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.311 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.577 ' HB2' HD13 ' A' ' 109' ' ' LEU . 63.4 mttp -72.96 -37.79 66.96 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.149 0.499 . . . . 0.0 109.839 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.893 HD13 ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -156.35 178.48 10.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.547 ' H ' ' NZ ' ' A' ' 113' ' ' LYS . 97.7 m-20 -103.33 143.31 32.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.481 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.538 HD13 HG13 ' A' ' 106' ' ' ILE . 8.5 mp -63.75 -12.24 33.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 110.167 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -59.84 -40.88 90.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.573 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.547 ' NZ ' ' H ' ' A' ' 110' ' ' ASP . 37.4 mtmm -64.42 -39.4 93.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.996 0.427 . . . . 0.0 110.66 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.931 ' O ' HD23 ' A' ' 80' ' ' LEU . 92.8 m-85 -72.23 138.98 47.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.661 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.568 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 22.5 tpp180 -86.28 -44.5 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.223 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.617 ' C ' HD12 ' A' ' 117' ' ' ILE . 91.5 t80 -150.87 131.35 13.81 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.178 0.513 . . . . 0.0 111.771 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 1.051 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -128.24 137.96 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.299 178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 66.5 t30 -135.01 113.91 11.94 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.188 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.647 ' HB1' ' HZ2' ' A' ' 98' ' ' LYS . . . -82.75 152.2 25.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.571 ' O ' ' O ' ' A' ' 121' ' ' ASN . 63.9 p -126.77 161.44 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.347 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.571 ' O ' ' O ' ' A' ' 120' ' ' THR . 26.9 m120 -39.55 171.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.743 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.53 -40.33 91.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.37 -34.85 78.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.144 0.497 . . . . 0.0 109.662 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.535 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 79.6 m80 -83.3 157.94 22.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.656 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.531 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.0 m-20 -98.99 168.92 9.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.266 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 139' ' ' VAL . 19.9 tt -108.14 134.26 50.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.986 0.422 . . . . 0.0 110.05 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -119.64 139.42 52.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.629 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.622 ' SG ' HG13 ' A' ' 117' ' ' ILE . 84.3 m -121.53 141.0 51.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.479 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 97.9 m-85 -114.31 132.43 56.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.448 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.592 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 74.1 t80 -60.3 -48.75 80.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.592 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 99.6 mttt -115.65 8.76 15.1 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.394 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.548 ' N ' ' HB3' ' A' ' 115' ' ' ARG . . . 93.45 -15.07 63.83 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 81.6 t80 -162.39 115.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.554 ' HG2' ' N ' ' A' ' 135' ' ' THR . 65.0 tttm 175.39 164.88 0.31 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.49 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.554 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 82.3 p -68.86 -22.34 64.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.594 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 63.8 tttm -93.16 120.53 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.6 pttt -150.33 158.96 44.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.211 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -118.02 146.02 44.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.371 . . . . 0.0 110.699 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.6 p -139.95 142.37 32.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.536 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.846 HD12 ' HE2' ' A' ' 105' ' ' LYS . 89.3 mt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mtm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.807 ' HB1' ' O ' ' A' ' 5' ' ' LYS . . . -63.18 141.91 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.547 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -146.07 114.55 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.268 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.85 -0.59 77.39 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.807 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 22.3 ptmt -159.43 160.31 34.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.33 -0.435 . . . . 0.0 110.316 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.495 ' OG ' ' HB2' ' A' ' 9' ' ' ASN . 89.5 p -150.93 38.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.418 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.599 ' O ' ' CB ' ' A' ' 8' ' ' TYR . 89.9 mmt-85 60.73 43.58 12.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.599 ' CB ' ' O ' ' A' ' 7' ' ' ARG . 40.4 t80 93.26 64.16 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.183 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.591 ' ND2' ' O ' ' A' ' 11' ' ' TYR . 65.5 t30 -61.85 135.79 57.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.619 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -60.47 -43.41 96.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.62 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.591 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 97.6 m-85 -110.23 134.31 52.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.454 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -139.74 138.41 35.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.662 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.03 130.74 47.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.344 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.43 HH21 ' HZ ' ' A' ' 16' ' ' PHE . 79.4 ttt180 -97.84 125.28 42.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.413 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t -149.39 147.57 28.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.649 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.43 ' HZ ' HH21 ' A' ' 14' ' ' ARG . 99.1 m-85 -116.87 141.63 47.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.666 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -84.86 82.14 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.251 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' HD3' ' C ' ' A' ' 18' ' ' ARG . 2.6 tmt_? -118.08 131.86 56.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 19.5 t 68.43 -143.24 0.11 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.721 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 62.93 18.07 10.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' HG2' ' HG3' ' A' ' 22' ' ' GLN . 22.9 ttmm -164.76 139.3 5.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.417 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.701 ' NE2' ' OE1' ' A' ' 25' ' ' GLU . 34.2 mt-30 55.71 41.99 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.011 0.434 . . . . 0.0 110.243 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -61.42 -39.62 91.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.222 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 2.4 mpt_? -59.94 -39.48 85.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.015 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.701 ' OE1' ' NE2' ' A' ' 22' ' ' GLN . 98.8 mt-10 -61.95 -39.76 93.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' HD1' ' O ' ' A' ' 22' ' ' GLN . 82.5 m-85 -64.76 -38.56 91.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.38 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.1 92.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -63.07 -39.91 96.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.341 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' HB3' ' A' ' 89' ' ' LEU . 98.2 mt-10 -62.94 -39.51 94.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.539 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.41 -40.79 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.566 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.97 -40.94 97.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.292 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.578 ' NH1' ' O ' ' A' ' 89' ' ' LEU . 79.8 ttt180 -62.02 -43.1 99.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.474 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.464 ' CD1' ' CD2' ' A' ' 91' ' ' PHE . 61.6 tp -60.98 -43.97 98.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.65 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.5 -39.91 95.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -61.08 -44.53 97.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.316 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.943 ' O ' HD13 ' A' ' 40' ' ' LEU . . . -61.57 -39.59 91.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.421 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.656 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 85.1 t80 -57.43 -46.71 83.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.319 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.83 -39.77 82.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.775 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -99.48 11.32 39.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.781 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.943 HD13 ' O ' ' A' ' 36' ' ' ALA . 2.3 mp -105.65 91.69 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.869 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 67.1 t0 -67.24 131.66 46.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.826 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 77.88 21.76 70.61 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.647 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 89.5 m95 -117.58 135.95 53.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.562 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 78.2 m-85 -138.5 146.1 41.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.756 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.656 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 2.8 mp -124.67 144.6 50.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.627 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 t -120.02 129.08 54.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.475 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -64.23 -41.2 97.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.0 mmt -63.09 -40.16 96.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.459 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.617 ' O ' ' C ' ' A' ' 50' ' ' ASP . 58.0 mtmt -114.79 38.88 3.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.253 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.0 t0 -10.36 79.28 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.094 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 49' ' ' LYS . 96.7 p -155.82 163.79 39.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.665 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.603 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -114.83 140.56 48.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.426 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.3 p90 -151.99 163.93 38.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.526 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.721 ' HD2' HD11 ' A' ' 61' ' ' ILE . 19.5 ptpt -137.1 155.95 48.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.7 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -108.01 102.97 12.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.299 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.616 ' CE1' ' HD3' ' A' ' 54' ' ' LYS . 1.6 m-30 -81.66 -16.1 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.231 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.79 -12.23 70.33 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.559 ' NZ ' ' OD2' ' A' ' 110' ' ' ASP . 63.4 mtpt -115.66 -33.2 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 0.0 110.124 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 1.052 ' CZ ' HD12 ' A' ' 111' ' ' LEU . 42.1 p90 -156.6 160.7 39.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.241 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.599 ' OE1' ' ND2' ' A' ' 77' ' ' ASN . 88.6 tt0 -113.13 130.6 56.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.963 0.411 . . . . 0.0 111.11 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.721 HD11 ' HD2' ' A' ' 54' ' ' LYS . 44.8 pt -123.5 138.0 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.479 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.611 ' O ' HD12 ' A' ' 84' ' ' ILE . 8.9 ptm180 -139.67 157.35 45.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.458 . . . . 0.0 110.982 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.89 HD12 ' N ' ' A' ' 63' ' ' LEU . 1.8 mp -111.09 148.22 33.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.061 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.635 ' OG ' ' HB2' ' A' ' 68' ' ' ALA . 93.8 p -147.52 170.61 17.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 -179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 65' ' ' ASN . 53.0 p30 -76.62 -168.86 1.09 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.138 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 74.2 m80 -59.64 -39.62 84.97 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.3 m -102.9 93.8 5.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.088 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.635 ' HB2' ' OG ' ' A' ' 64' ' ' SER . . . -103.11 8.88 38.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.606 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.48 -39.1 92.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.293 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.512 ' OD1' ' HG2' ' A' ' 71' ' ' LYS . 54.2 p30 -83.68 -1.46 54.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.102 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.589 ' O ' ' NH1' ' A' ' 62' ' ' ARG . 16.7 ptpt -138.9 28.25 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.716 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.642 ' OH ' ' CE1' ' A' ' 116' ' ' PHE . 82.2 t80 -141.35 141.96 33.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.396 . . . . 0.0 110.779 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.593 ' NE2' HD11 ' A' ' 81' ' ' ILE . 53.0 p-80 -140.96 164.64 29.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.505 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.612 ' OD1' HD23 ' A' ' 75' ' ' LEU . 68.0 t0 -59.76 -46.72 88.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.435 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.981 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.3 pp 168.01 99.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.102 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.562 ' H ' ' CD2' ' A' ' 73' ' ' HIS . 99.5 mt-10 -109.51 -8.23 15.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.463 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.635 ' O ' ' CZ ' ' A' ' 79' ' ' ARG . 89.7 m-20 -93.12 -3.43 54.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.308 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.515 ' C ' ' HD3' ' A' ' 79' ' ' ARG . . . 80.03 1.6 87.82 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.635 ' CZ ' ' O ' ' A' ' 77' ' ' ASN . 1.9 mpp_? -127.12 161.8 27.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 110.231 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 114' ' ' TYR . 97.8 mt -59.94 145.09 47.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.953 0.406 . . . . 0.0 110.65 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.593 HD11 ' NE2' ' A' ' 73' ' ' HIS . 88.5 mt -121.32 127.32 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.386 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.059 HG22 ' HB ' ' A' ' 117' ' ' ILE . 85.3 t -112.71 119.0 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.763 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.566 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 50.1 t30 -95.41 107.35 19.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.633 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.917 HG13 ' HB3' ' A' ' 119' ' ' ALA . 3.6 mp -109.12 118.58 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.237 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 64' ' ' SER . 99.7 mttt -85.15 129.64 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.633 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.471 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -159.61 156.04 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.648 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.479 ' HB2' ' OD1' ' A' ' 90' ' ' ASN . 68.9 m -68.83 149.33 49.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.4 ' HG2' ' HB3' ' A' ' 29' ' ' GLU . 25.2 ttmm -60.49 -42.49 96.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.526 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.578 ' O ' ' NH1' ' A' ' 32' ' ' ARG . 3.3 pp -73.98 -20.32 60.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.466 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.482 ' ND2' ' CD1' ' A' ' 89' ' ' LEU . 34.3 m120 -101.65 11.67 38.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.779 ' CE1' HD22 ' A' ' 63' ' ' LEU . 91.7 t80 -59.3 -48.74 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.792 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 95' ' ' ILE . 57.2 t -62.36 -44.9 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.6 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -61.22 -42.88 99.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.991 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 91' ' ' PHE . 4.6 tp -61.74 -28.55 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.461 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 92' ' ' VAL . 87.9 mt -60.39 -45.21 96.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.302 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.554 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 53.3 mp0 -62.28 -43.7 98.22 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.348 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.563 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 29.6 t-20 -72.61 -48.99 35.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.928 0.394 . . . . 0.0 111.631 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.694 ' HD3' HG21 ' A' ' 84' ' ' ILE . 29.2 ttpp -64.24 -43.23 95.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.432 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.836 ' O ' HD23 ' A' ' 99' ' ' LEU . 2.5 tt -59.51 -42.69 92.79 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.38 -39.14 93.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.822 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.1 mmtp -64.24 -39.71 94.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.786 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 99' ' ' LEU . 42.9 pt -72.82 -39.32 59.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.912 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.584 HG12 HD23 ' A' ' 99' ' ' LEU . 32.6 mm -63.05 -47.51 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.536 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.559 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 43.8 tt0 -63.54 -43.47 97.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.527 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.813 ' HD2' HD21 ' A' ' 111' ' ' LEU . 40.9 ttmt -61.77 -43.93 97.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.766 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 1.029 HD11 ' OH ' ' A' ' 59' ' ' TYR . 78.8 mt -61.45 -43.31 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.458 . . . . 0.0 112.202 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.99 -41.45 92.09 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.464 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.58 ' C ' HD23 ' A' ' 109' ' ' LEU . 38.3 mtmm -91.5 -26.89 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.657 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.842 HD13 ' OH ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -157.11 116.04 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.322 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.559 ' OD2' ' NZ ' ' A' ' 58' ' ' LYS . 57.0 t0 -62.98 139.52 58.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 1.052 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 87.2 mt -61.71 -38.13 86.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.16 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 80' ' ' LEU . 64.8 t0 -50.6 -23.31 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.08 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 33.0 mmtp -65.63 -38.05 88.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.94 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.842 ' OH ' HD13 ' A' ' 109' ' ' LEU . 53.4 m-85 -86.94 120.85 28.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.372 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.518 ' HD2' ' O ' ' A' ' 131' ' ' LYS . 43.3 ttm180 -63.9 -41.97 97.56 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.394 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.642 ' CE1' ' OH ' ' A' ' 72' ' ' TYR . 78.3 t80 -130.0 127.44 40.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 1.059 ' HB ' HG22 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -132.51 141.65 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.625 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.566 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 53.9 t-20 -148.81 111.57 4.8 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.58 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.917 ' HB3' HG13 ' A' ' 84' ' ' ILE . . . -83.61 155.25 23.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.549 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 47.3 p -126.7 161.58 27.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.276 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.569 ' O ' ' O ' ' A' ' 120' ' ' THR . 54.5 m-20 -39.97 171.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.571 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.65 -40.13 90.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.523 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.6 -34.78 78.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.025 0.441 . . . . 0.0 109.899 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.527 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 50.8 m80 -84.1 159.82 21.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.638 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.577 ' O ' ' OG1' ' A' ' 120' ' ' THR . 15.7 t0 -98.83 170.65 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.204 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 139' ' ' VAL . 18.6 tt -108.32 132.5 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.453 . . . . 0.0 110.305 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -120.57 139.02 53.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.848 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.859 ' SG ' HG23 ' A' ' 117' ' ' ILE . 69.0 m -127.7 147.8 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.361 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.471 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 77.9 m-85 -117.28 135.36 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.6 t80 -59.75 -49.4 77.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.768 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.518 ' O ' ' HD2' ' A' ' 115' ' ' ARG . 11.5 ptmm? -118.11 14.34 14.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.442 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.471 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.04 -12.69 68.36 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.8 t80 -162.01 116.16 1.87 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 56.6 tptt 174.36 160.44 0.18 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.475 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.52 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 82.8 p -69.15 -18.02 63.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.11 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.476 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 24.0 tptm -91.34 120.01 31.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.689 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.2 pttt -150.55 158.96 44.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.216 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.61 ' OE1' ' CE2' ' A' ' 114' ' ' TYR . 51.4 mp0 -120.38 133.71 55.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.317 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.574 ' CG1' ' OD2' ' A' ' 125' ' ' ASP . 86.2 t -126.86 128.73 71.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.567 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.499 ' O ' ' HD1' ' A' ' 3' ' ' TYR . 66.9 ttp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.59 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -61.97 -40.74 96.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.748 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.499 ' HD1' ' O ' ' A' ' 1' ' ' MET . 41.6 m-85 57.8 -71.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.712 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 59.08 -130.57 51.1 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.462 ' NZ ' ' CZ ' ' A' ' 8' ' ' TYR . 65.2 pttt -60.94 -22.43 64.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.698 0.285 . . . . 0.0 110.606 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t 60.99 59.12 2.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.614 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HB3' ' HG3' ' A' ' 12' ' ' ARG . 89.4 mmt-85 57.97 43.18 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.638 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.462 ' CZ ' ' NZ ' ' A' ' 5' ' ' LYS . 92.2 m-85 62.82 27.95 16.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.705 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.7 t30 53.83 43.96 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.639 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.8 p -153.39 162.42 41.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' OH ' ' CD ' ' A' ' 13' ' ' LYS . 86.7 t80 -61.92 126.98 29.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.704 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HD2' ' O ' ' A' ' 11' ' ' TYR . 31.6 mmm180 -149.25 2.01 0.55 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.575 ' CD ' ' OH ' ' A' ' 11' ' ' TYR . 31.0 mttt 46.37 -161.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.286 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.531 HH12 ' NH2' ' A' ' 23' ' ' ARG . 6.5 ptm180 -125.77 95.66 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 110.519 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.6 m -130.24 149.77 51.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.495 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.25 133.18 55.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.492 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.0 m120 44.97 -135.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.377 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -61.48 -43.64 98.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.515 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.0 t 56.13 179.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.382 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -135.49 147.62 48.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -71.73 151.29 43.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.819 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 60.07 63.3 1.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.461 -0.495 . . . . 0.0 109.909 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.531 ' NH2' HH12 ' A' ' 14' ' ' ARG . 9.3 ptm180 -53.79 -22.36 9.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.895 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 62.6 ttm-85 -60.09 -46.01 91.02 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.574 ' OE2' ' CG ' ' A' ' 29' ' ' GLU . 16.5 tm-20 -64.73 -40.5 95.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.994 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -59.78 -48.41 81.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.536 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.8 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 30.7 mm100 -63.03 -39.68 95.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.334 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.574 ' CG ' ' OE2' ' A' ' 25' ' ' GLU . 78.5 mm-40 -62.54 -39.53 93.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.466 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.5 tpp -60.66 -45.47 94.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.326 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.528 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 98.4 m-20 -61.84 -39.98 93.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.259 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HD3' ' C ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -61.31 -42.11 98.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 179.648 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.675 HD11 ' CD2' ' A' ' 91' ' ' PHE . 4.2 tt -60.38 -45.37 93.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.03 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.49 -41.77 94.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.676 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.571 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -61.03 -37.99 84.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.923 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.35 -39.93 88.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.57 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.122 ' CG ' HD11 ' A' ' 45' ' ' LEU . 65.4 m-85 -64.44 -37.57 87.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.31 -38.86 88.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.347 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -98.1 8.45 44.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.751 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.923 HD23 ' O ' ' A' ' 36' ' ' ALA . 1.4 mm? -106.06 110.25 22.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.631 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.26 128.76 37.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.836 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 82.15 13.55 78.84 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 121.133 -0.556 . . . . 0.0 111.742 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.647 ' HZ2' HD21 ' A' ' 99' ' ' LEU . 90.3 m95 -118.11 128.52 54.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.959 0.409 . . . . 0.0 110.986 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 86.7 m-85 -140.52 151.08 44.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.683 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.122 HD11 ' CG ' ' A' ' 37' ' ' PHE . 2.6 mp -119.26 141.04 49.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 69.9 m -115.46 128.47 56.04 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.268 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -65.47 -45.06 85.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.679 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.4 ttp -59.23 -45.79 90.22 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.389 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -122.04 61.16 0.96 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.868 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.583 ' C ' ' O ' ' A' ' 49' ' ' LYS . 65.6 m-20 -24.88 90.01 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.233 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 49' ' ' LYS . 92.8 p -152.38 165.28 35.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.763 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.522 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -108.64 138.22 45.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.633 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.668 ' CZ ' ' OE2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -107.24 137.47 45.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.839 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.626 ' CE ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -135.38 96.6 3.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.245 179.275 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -98.25 105.92 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.352 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.692 ' HE1' HD11 ' A' ' 61' ' ' ILE . 89.5 m-85 -90.94 -8.36 49.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.03 0.443 . . . . 0.0 110.268 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.45 -10.74 73.53 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -115.38 -28.77 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.938 0.399 . . . . 0.0 110.404 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.88 ' CB ' HD21 ' A' ' 111' ' ' LEU . 52.5 p90 -155.79 161.89 40.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.575 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.668 ' OE2' ' CZ ' ' A' ' 53' ' ' TYR . 89.2 tt0 -113.33 123.76 50.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.732 HG23 ' HD1' ' A' ' 59' ' ' TYR . 47.4 pt -132.08 137.39 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.224 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.654 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 18.3 ptp180 -140.19 159.07 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.496 ' CB ' ' HE1' ' A' ' 91' ' ' PHE . 9.2 mp -105.44 153.29 21.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.345 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.53 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 94.3 p -148.8 163.46 37.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.067 0.461 . . . . 0.0 110.785 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.604 ' OD1' ' N ' ' A' ' 66' ' ' HIS . 16.3 t-20 -65.28 173.05 2.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.752 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.604 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 73.2 m80 -61.04 -38.93 87.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.7 m -63.83 149.6 46.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.039 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.491 ' CB ' ' HE2' ' A' ' 71' ' ' LYS . . . -84.33 12.71 6.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.219 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.24 -41.88 89.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.784 0.325 . . . . 0.0 110.409 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.497 ' HB2' ' HB2' ' A' ' 64' ' ' SER . 98.7 m-20 -92.1 2.43 56.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.479 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.491 ' HE2' ' CB ' ' A' ' 68' ' ' ALA . 25.2 ttmm -61.4 -41.48 97.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.013 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -67.4 143.93 56.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.92 0.39 . . . . 0.0 110.954 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.63 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 71.3 t60 -101.44 112.5 25.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.448 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.557 ' HB2' ' NZ ' ' A' ' 49' ' ' LYS . 68.2 t0 -60.93 -49.78 76.05 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.63 ' O ' ' NE2' ' A' ' 73' ' ' HIS . 67.0 tp -142.54 124.39 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.093 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.519 ' HA ' ' NE2' ' A' ' 73' ' ' HIS . 99.2 mt-10 -67.15 140.47 57.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.449 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.468 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . 2.2 t-20 -100.2 10.07 41.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.642 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.443 ' C ' ' HD3' ' A' ' 79' ' ' ARG . . . 81.82 2.01 90.41 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' HD3' ' C ' ' A' ' 78' ' ' GLY . 0.7 OUTLIER -125.91 158.93 33.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 110.605 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.803 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.9 OUTLIER -56.42 147.21 22.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.0 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.2 127.44 74.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.588 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.921 HG22 ' CD1' ' A' ' 117' ' ' ILE . 50.6 t -116.25 121.65 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.805 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.574 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 64.9 t30 -97.03 108.91 21.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.71 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.793 HG12 ' HB3' ' A' ' 119' ' ' ALA . 84.4 mt -108.3 119.67 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.276 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 64' ' ' SER . 64.2 mttp -87.81 129.47 35.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.95 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.664 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -161.65 145.64 12.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.404 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.8 p -73.26 159.15 33.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.214 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.407 ' HE2' HD22 ' A' ' 65' ' ' ASN . 1.8 mptp? -63.15 -40.6 98.02 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.498 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.617 HD23 ' OD1' ' A' ' 90' ' ' ASN . 9.9 tt -63.88 -43.08 97.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.701 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.617 ' OD1' HD23 ' A' ' 89' ' ' LEU . 98.6 m-20 -99.78 11.79 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.603 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.72 ' O ' HG22 ' A' ' 94' ' ' ILE . 90.2 t80 -58.89 -48.68 80.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.739 ' HA ' HD12 ' A' ' 95' ' ' ILE . 57.6 t -61.93 -44.95 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.496 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -61.03 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.954 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.72 HG22 ' O ' ' A' ' 91' ' ' PHE . 3.9 tp -61.01 -28.59 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.181 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.841 ' O ' HD13 ' A' ' 99' ' ' LEU . 88.4 mt -60.64 -46.55 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.467 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.553 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 60.6 mp0 -63.06 -44.38 95.97 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.78 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.672 HD22 HD21 ' A' ' 122' ' ' LEU . 65.2 t30 -72.37 -46.3 55.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.834 0.349 . . . . 0.0 111.631 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.706 ' HG3' HG21 ' A' ' 84' ' ' ILE . 75.0 mmtt -65.53 -40.3 92.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.981 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.841 HD13 ' O ' ' A' ' 95' ' ' ILE . 9.4 mp -63.84 -43.24 96.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.14 0.495 . . . . 0.0 109.871 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.13 -39.41 94.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.762 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 48.4 mmtm -64.47 -39.47 93.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.587 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 44.2 pt -75.27 -39.22 42.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.091 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.548 ' N ' HG13 ' A' ' 102' ' ' ILE . 28.7 mm -62.04 -44.9 99.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.766 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.08 -42.67 99.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.257 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.864 ' HE2' HD12 ' A' ' 140' ' ' ILE . 98.1 mttt -62.41 -41.5 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.836 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.876 HD11 HD22 ' A' ' 111' ' ' LEU . 33.1 mm -62.97 -45.88 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-O 120.962 0.411 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.88 -42.37 98.98 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.699 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -74.3 -38.86 63.23 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.46 0.647 . . . . 0.0 109.936 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.674 HD13 ' OH ' ' A' ' 114' ' ' TYR . 3.0 pp -157.1 168.19 28.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.845 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.528 ' HB3' ' OD1' ' A' ' 112' ' ' ASP . 97.5 m-20 -85.4 128.34 34.68 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.506 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 1.04 HD23 ' N ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -79.32 -20.62 47.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.048 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 1.04 ' N ' HD23 ' A' ' 111' ' ' LEU . 59.3 p30 -69.14 -13.56 62.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.089 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 30.4 mtpp -64.67 -39.07 93.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.994 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.803 ' O ' HD11 ' A' ' 80' ' ' LEU . 7.9 m-85 -73.02 128.97 37.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.793 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.568 ' CG ' ' HA ' ' A' ' 131' ' ' LYS . 42.2 mmt180 -63.69 -39.6 94.73 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.662 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -146.98 125.13 12.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.995 0.426 . . . . 0.0 111.466 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.921 ' CD1' HG22 ' A' ' 82' ' ' VAL . 30.6 pt -129.67 150.54 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.574 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 63.1 t-20 -147.19 113.5 5.91 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.876 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.793 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.0 152.79 25.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.943 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.65 HG22 ' HB2' ' A' ' 124' ' ' HIS . 6.4 m -124.72 156.33 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 0.0 110.54 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.561 ' O ' ' O ' ' A' ' 120' ' ' THR . 12.0 m120 -38.28 169.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.597 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.672 HD21 HD22 ' A' ' 97' ' ' ASN . 90.1 mt -61.41 -40.08 93.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.547 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.7 -35.81 81.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.229 0.538 . . . . 0.0 109.593 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.65 ' HB2' HG22 ' A' ' 120' ' ' THR . 50.6 m80 -86.34 165.15 16.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.294 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 125' ' ' ASP . 54.5 p30 -96.22 172.35 8.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.397 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.585 HD13 ' NZ ' ' A' ' 105' ' ' LYS . 15.2 tt -109.97 133.03 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.71 139.26 52.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.712 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.527 ' HB3' HG22 ' A' ' 117' ' ' ILE . 71.1 m -126.43 146.64 50.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.558 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.519 ' O ' ' HB3' ' A' ' 114' ' ' TYR . 98.4 m-85 -117.27 132.16 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.413 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -60.09 -49.11 78.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.643 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.568 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 17.6 ptmt -117.55 11.84 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.342 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.47 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.2 -12.06 70.29 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.514 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 87.8 t80 -162.37 116.73 1.82 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 133' ' ' PHE . 19.6 mtpt 171.52 165.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.9 0.381 . . . . 0.0 110.842 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 80.4 p -70.22 -22.0 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.435 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -88.57 120.64 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.1 pttt -150.74 158.73 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.537 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.443 ' OE2' ' OH ' ' A' ' 114' ' ' TYR . 99.5 mt-10 -110.25 139.14 45.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.31 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.4 142.27 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.759 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.864 HD12 ' HE2' ' A' ' 105' ' ' LYS . 80.8 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.578 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.644 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 24.6 ptp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.862 ' HB1' ' HB3' ' A' ' 6' ' ' SER . . . -62.73 -39.94 95.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.644 ' CD1' ' O ' ' A' ' 1' ' ' MET . 91.8 m-85 58.28 30.14 19.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.998 0.428 . . . . 0.0 110.081 -179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' C ' ' H ' ' A' ' 6' ' ' SER . . . 81.86 179.49 52.92 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 4' ' ' GLY . 63.6 mttp 64.3 -0.98 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.69 0.281 . . . . 0.0 110.606 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.862 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 96.0 p -70.54 -22.31 62.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.258 0.552 . . . . 0.0 109.585 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.49 ' NH1' ' HE1' ' A' ' 8' ' ' TYR . 47.4 mtm105 -63.19 -41.48 99.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.981 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.49 ' HE1' ' NH1' ' A' ' 7' ' ' ARG . 98.5 m-85 -124.93 108.37 11.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.954 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -74.63 149.0 40.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.267 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -61.29 -42.13 98.13 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.724 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -131.35 139.42 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.664 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.402 HH21 ' HA ' ' A' ' 8' ' ' TYR . 99.6 mtt180 -124.09 -6.11 7.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.679 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -94.36 -2.09 52.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.677 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.7 ptt85 -63.72 -21.9 66.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.029 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.8 m -121.81 145.62 47.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 111.026 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.623 ' CE2' ' O ' ' A' ' 17' ' ' ASN . 92.1 t80 -139.21 132.23 29.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.313 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.623 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 53.4 p30 -80.77 178.62 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.699 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -81.33 -10.41 59.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m 56.83 54.84 6.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.782 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.58 151.54 32.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.635 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -61.3 -39.87 92.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.391 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -119.58 135.56 54.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.065 0.459 . . . . 0.0 111.152 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.46 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 4.6 tmt_? -62.49 -41.95 99.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.657 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.529 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 62.7 ttm-85 -59.87 -43.5 94.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.617 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.98 -41.8 97.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.945 0.402 . . . . 0.0 110.008 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.89 -49.07 79.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.238 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.29 95.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.54 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 98.7 mm-40 -63.54 -39.87 95.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.685 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.58 ' OE1' ' NH2' ' A' ' 32' ' ' ARG . 54.2 tp10 -61.23 -44.02 97.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.275 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.1 ttt -61.9 -44.57 96.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.566 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 66.1 t0 -60.86 -48.73 80.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.079 0.466 . . . . 0.0 110.484 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.58 ' NH2' ' OE1' ' A' ' 29' ' ' GLU . 60.6 ttp180 -62.6 -45.21 93.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.87 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' HG ' ' HE1' ' A' ' 37' ' ' PHE . 60.4 tp -62.67 -45.29 93.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.633 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.5 pt-20 -65.02 -28.41 69.48 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.006 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 62.0 mtpt -63.22 -39.53 94.9 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.543 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.89 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.13 -41.12 96.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.357 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.022 ' CD2' HD11 ' A' ' 45' ' ' LEU . 84.7 m-85 -65.35 -38.84 91.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.597 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.23 -38.65 90.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -95.41 6.53 48.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.89 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -102.33 98.29 8.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.619 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.567 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 58.5 p30 -67.57 141.78 56.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.524 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.559 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 82.51 2.46 90.62 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.112 -0.566 . . . . 0.0 111.718 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.662 ' HZ2' HD21 ' A' ' 99' ' ' LEU . 94.3 m95 -117.83 135.12 54.29 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.526 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 74.4 m-85 -138.32 146.42 42.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.022 HD11 ' CD2' ' A' ' 37' ' ' PHE . 2.9 mp -126.3 148.14 49.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.515 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.9 p -119.08 135.65 54.54 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.4 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.5 m -67.55 -40.77 84.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.353 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.31 -40.63 96.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.533 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.607 ' O ' ' N ' ' A' ' 51' ' ' SER . 30.1 mmmt -121.51 49.57 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.072 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.3 m-20 -18.39 84.63 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.811 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.8 t -152.48 149.94 29.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.715 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.591 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -108.82 138.03 45.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.474 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.9 p90 -151.55 160.58 43.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.687 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.74 ' HZ3' ' HE1' ' A' ' 56' ' ' PHE . 21.3 ttpp -132.91 131.93 41.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.988 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -100.42 105.59 17.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.333 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.74 ' HE1' ' HZ3' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -89.01 -12.25 41.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.999 0.428 . . . . 0.0 110.354 179.1 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.48 -10.1 75.52 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.493 ' HE2' ' OD2' ' A' ' 112' ' ' ASP . 16.8 tptm -109.05 -40.23 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.02 0.438 . . . . 0.0 109.916 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.613 ' HE1' HG21 ' A' ' 61' ' ' ILE . 52.8 p90 -153.73 161.14 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.4 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.583 ' OE1' ' ND2' ' A' ' 77' ' ' ASN . 88.9 tt0 -107.43 129.97 54.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 111.16 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.697 HG22 ' HB ' ' A' ' 82' ' ' VAL . 49.4 pt -129.22 137.88 55.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.151 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.587 ' NH2' ' OG ' ' A' ' 51' ' ' SER . 17.8 ptm180 -140.02 157.53 45.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.017 0.437 . . . . 0.0 111.176 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 95' ' ' ILE . 8.3 mp -112.56 152.79 28.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.277 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.511 ' OG ' ' HB2' ' A' ' 68' ' ' ALA . 91.5 p -148.16 164.26 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.755 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -62.96 -163.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.497 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -59.1 -46.62 87.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.267 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.5 t -92.71 97.76 10.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' O ' ' HD2' ' A' ' 72' ' ' TYR . . . -92.41 -1.03 57.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.073 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.624 ' O ' ' CE2' ' A' ' 72' ' ' TYR . 67.8 t0 -60.23 -43.54 95.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.22 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -95.48 3.61 54.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.673 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.581 ' O ' ' NH2' ' A' ' 62' ' ' ARG . 75.5 mmtt -94.44 7.22 46.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.459 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.624 ' CE2' ' O ' ' A' ' 69' ' ' ASP . 18.1 p90 -140.15 163.35 32.95 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.638 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -124.0 150.15 45.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.008 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -82.23 73.26 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.754 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.808 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -139.84 124.9 18.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.348 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -84.35 135.3 34.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.518 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.734 ' OD1' HD21 ' A' ' 75' ' ' LEU . 98.6 m-20 -100.17 6.78 44.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.478 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.466 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . 80.74 1.09 89.09 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 78' ' ' GLY . 31.1 mmm180 -133.54 156.35 47.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.322 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.77 HD11 ' CA ' ' A' ' 115' ' ' ARG . 2.5 mm? -56.57 137.98 52.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.548 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.5 mt -118.64 125.88 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.91 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.966 HG13 HG22 ' A' ' 117' ' ' ILE . 84.5 t -121.42 124.61 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.058 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -108.6 136.58 47.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.863 ' HA ' ' HB3' ' A' ' 119' ' ' ALA . 86.6 mt -118.34 126.92 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.486 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.426 ' HG2' ' HB2' ' A' ' 68' ' ' ALA . 56.9 mtmt -101.54 123.67 45.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.608 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.033 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -160.16 151.05 18.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.505 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.4 p -71.73 160.42 32.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.264 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.35 -40.68 97.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.307 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.55 ' CD2' ' NH2' ' A' ' 32' ' ' ARG . 88.2 mt -64.21 -39.37 93.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.324 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.53 13.42 34.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.756 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CE2' ' CZ ' ' A' ' 37' ' ' PHE . 83.9 t80 -58.77 -49.1 78.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.769 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 95' ' ' ILE . 71.9 t -62.7 -45.61 98.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.264 0.554 . . . . 0.0 110.618 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.38 -39.77 95.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.125 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.033 HG12 ' HB2' ' A' ' 86' ' ' ALA . 6.1 tp -64.05 -36.34 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.4 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.702 HG22 HD21 ' A' ' 63' ' ' LEU . 40.4 pt -78.55 -26.99 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.789 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -62.12 -47.04 86.37 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.631 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.54 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 63.4 t30 -88.44 -38.75 14.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.696 ' HG2' HD13 ' A' ' 84' ' ' ILE . 17.8 tppt? -64.27 -43.01 96.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.335 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.662 HD21 ' HZ2' ' A' ' 43' ' ' TRP . 89.4 mt -62.48 -40.36 96.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.557 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.09 -38.91 93.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.573 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.2 mmtp -64.15 -39.91 95.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.594 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.573 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 43.7 pt -74.53 -39.92 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.705 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.548 ' N ' HG13 ' A' ' 102' ' ' ILE . 91.9 mt -62.76 -46.12 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.045 0.45 . . . . 0.0 110.161 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.581 ' HG3' ' NZ ' ' A' ' 108' ' ' LYS . 54.4 tp10 -63.07 -42.5 99.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.722 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.569 ' NZ ' ' CD ' ' A' ' 138' ' ' GLU . 25.2 ttmm -60.63 -43.0 98.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.833 ' CG1' HD13 ' A' ' 111' ' ' LEU . 76.8 mt -60.79 -42.75 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.826 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -58.8 -48.84 79.86 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.128 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.581 ' NZ ' ' HG3' ' A' ' 104' ' ' GLU . 37.7 mtmm -73.89 -37.16 64.78 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.568 ' O ' ' O ' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -155.37 126.96 7.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.172 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.03 144.94 56.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.833 HD13 ' CG1' ' A' ' 106' ' ' ILE . 7.9 mp -65.2 -11.91 45.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.073 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.493 ' OD2' ' HE2' ' A' ' 58' ' ' LYS . 98.4 m-20 -61.84 -27.53 68.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.566 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 98.0 mttt -64.02 -39.35 93.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.133 0.492 . . . . 0.0 109.924 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.742 ' O ' HD11 ' A' ' 80' ' ' LEU . 87.4 m-85 -80.98 153.73 27.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.35 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.77 ' CA ' HD11 ' A' ' 80' ' ' LEU . 10.7 mpt_? -107.96 -28.3 9.67 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.653 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.653 ' C ' HD12 ' A' ' 117' ' ' ILE . 90.8 t80 -143.08 125.74 15.92 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.052 0.454 . . . . 0.0 111.228 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.966 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -130.89 138.35 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.939 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -135.14 111.49 9.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.979 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.863 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -83.48 148.84 27.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.477 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.659 HG22 ' HB2' ' A' ' 124' ' ' HIS . 26.4 m -129.49 156.44 44.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.066 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 124' ' ' HIS . 63.7 t30 -37.4 148.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.087 0.47 . . . . 0.0 111.283 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 123' ' ' GLU . 3.4 pp -46.77 -31.85 3.27 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.229 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.531 ' N ' HD12 ' A' ' 122' ' ' LEU . 98.9 mt-10 -65.72 -33.63 76.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.659 ' HB2' HG22 ' A' ' 120' ' ' THR . 78.8 m80 -96.46 165.09 12.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.292 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -97.76 170.25 9.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.478 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.996 ' O ' HG23 ' A' ' 139' ' ' VAL . 20.2 tt -108.81 139.98 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.214 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.566 ' HD3' ' NZ ' ' A' ' 137' ' ' LYS . 98.4 mttt -119.8 138.33 53.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.754 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.621 ' SG ' HG13 ' A' ' 117' ' ' ILE . 82.4 m -125.47 145.31 50.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.751 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.481 ' C ' ' HD2' ' A' ' 114' ' ' TYR . 98.6 m-85 -117.81 134.58 54.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.165 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.544 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 83.7 m-85 -63.64 -41.94 98.2 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.992 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.596 ' HE3' ' HZ1' ' A' ' 134' ' ' LYS . 99.6 mttt -117.24 8.84 13.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.017 0.436 . . . . 0.0 110.345 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.509 ' HA2' ' HB3' ' A' ' 116' ' ' PHE . . . 91.79 -13.34 67.04 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 83.5 t80 -162.35 116.09 1.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.596 ' HZ1' ' HE3' ' A' ' 131' ' ' LYS . 39.6 ttmt 174.65 161.21 0.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.831 0.348 . . . . 0.0 110.613 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.506 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 11.8 t -68.23 -13.58 62.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.171 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.497 ' O ' ' HD1' ' A' ' 130' ' ' TYR . 99.7 mttt -96.83 118.39 33.16 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.422 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.566 ' NZ ' ' HD3' ' A' ' 127' ' ' LYS . 20.8 ptmt -151.25 158.4 43.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.541 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.569 ' CD ' ' NZ ' ' A' ' 105' ' ' LYS . 88.8 tt0 -119.86 129.86 54.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.459 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.3 p -135.83 141.47 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.69 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.685 HD12 ' CG2' ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.574 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 tpp . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.62 152.86 36.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -120.08 127.4 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.13 2.8 90.66 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 7' ' ' ARG . 75.5 mmtt 55.56 43.36 28.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.321 . . . . 0.0 110.492 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.624 ' OG ' ' N ' ' A' ' 10' ' ' SER . 95.2 p -58.17 83.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.439 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 5' ' ' LYS . 2.9 mpp_? 49.65 -82.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.605 ' N ' ' O ' ' A' ' 6' ' ' SER . 92.8 t80 -108.13 -70.13 0.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.393 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.589 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 66.9 t30 -156.26 109.52 2.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.932 0.396 . . . . 0.0 111.088 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.624 ' N ' ' OG ' ' A' ' 6' ' ' SER . 48.3 t -62.55 -41.52 98.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.242 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -72.96 -6.26 44.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.335 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.589 ' CG ' ' O ' ' A' ' 9' ' ' ASN . 7.9 ppt_? -49.36 149.21 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.266 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -152.02 161.15 43.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.779 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.3 mmt85 -132.38 149.63 52.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.1 m -126.16 148.73 49.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.579 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -129.23 148.38 51.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.549 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 23.5 m120 53.52 -127.62 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.768 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.585 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER 85.92 -7.73 0.79 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.678 -179.867 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.5 m -89.44 -1.44 58.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 42.2 m-20 61.36 -136.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.617 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HE2' ' HG2' ' A' ' 25' ' ' GLU . 31.7 ttpt -173.99 -77.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.293 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' HB2' ' HB2' ' A' ' 25' ' ' GLU . 98.5 mt-30 -129.21 142.65 50.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.209 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -60.82 -45.91 92.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.702 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -68.62 -30.37 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.944 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 54.2 tp10 -61.63 -46.28 90.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 110.738 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 20' ' ' ASN . 17.1 m-30 -80.39 -28.42 37.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.636 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.52 98.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.72 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 20.9 pt20 -70.8 -30.48 66.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.965 0.412 . . . . 0.0 110.239 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.643 ' O ' HD13 ' A' ' 33' ' ' LEU . 78.7 mm-40 -63.43 -38.58 91.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.58 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 98.4 mtp -61.23 -39.12 89.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 98.4 m-20 -60.3 -40.91 92.2 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.494 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.548 ' HD3' ' O ' ' A' ' 28' ' ' GLN . 12.5 mpt_? -64.5 -41.65 96.32 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.615 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 29' ' ' GLU . 11.0 mp -64.35 -45.54 87.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.7 pt-20 -65.87 -29.21 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.591 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.51 -46.3 90.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.398 . . . . 0.0 110.053 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.743 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -62.88 -40.21 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.701 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.193 ' CG ' HD11 ' A' ' 45' ' ' LEU . 65.1 m-85 -64.33 -36.67 84.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' OE1' ' OD1' ' A' ' 39' ' ' ASN . 16.7 tm-20 -60.06 -39.89 87.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.425 ' OD1' ' OE1' ' A' ' 38' ' ' GLU . 75.4 m-20 -96.94 6.64 48.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.454 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -104.16 94.55 5.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 98.8 m-20 -64.4 140.51 58.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.032 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 81.1 9.21 86.45 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.667 ' CZ3' ' NZ ' ' A' ' 54' ' ' LYS . 76.0 m95 -117.65 133.91 55.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.667 0.27 . . . . 0.0 110.275 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 78.9 m-85 -140.0 148.69 42.23 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.356 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.193 HD11 ' CG ' ' A' ' 37' ' ' PHE . 2.7 mp -123.44 143.37 50.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.258 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.9 p -120.48 137.83 54.14 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.713 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.6 p -70.28 -35.61 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.078 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.53 -46.28 90.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.292 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.634 ' O ' ' C ' ' A' ' 50' ' ' ASP . 58.1 mtmt -117.8 38.56 3.6 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.901 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.0 m-20 0.8 69.51 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.504 0.503 . . . . 0.0 111.049 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.602 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.6 t -150.02 152.18 34.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.581 ' HB1' ' CE2' ' A' ' 37' ' ' PHE . . . -108.39 144.18 36.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.443 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.4 p90 -147.5 161.45 41.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.344 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.766 ' NZ ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -143.61 149.26 37.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -114.34 125.51 53.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.778 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.603 ' CE1' ' HG3' ' A' ' 54' ' ' LYS . 96.4 m-85 -104.71 -5.48 21.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 110.153 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.08 -9.38 74.99 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.587 ' NZ ' ' H ' ' A' ' 112' ' ' ASP . 66.0 tttm -113.35 -41.82 3.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 110.537 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.73 ' CE2' HD12 ' A' ' 111' ' ' LEU . 54.8 p90 -150.59 160.52 43.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.643 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.69 ' OE1' HD23 ' A' ' 75' ' ' LEU . 88.7 tt0 -109.93 130.34 55.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 111.226 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.593 HG23 ' CD1' ' A' ' 59' ' ' TYR . 48.5 pt -127.64 138.89 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.242 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.547 ' O ' HD12 ' A' ' 63' ' ' LEU . 10.5 ptm85 -132.55 156.21 47.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.03 0.443 . . . . 0.0 110.883 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.071 HD11 HD12 ' A' ' 84' ' ' ILE . 7.4 mp -116.67 149.38 39.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.559 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.0 p -149.39 163.06 38.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.573 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -72.42 -162.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.517 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -58.72 -47.01 86.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.06 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 t -93.24 109.06 20.59 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.549 ' CB ' ' HE2' ' A' ' 85' ' ' LYS . . . -100.81 7.85 43.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.997 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -59.44 -45.45 91.54 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.446 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -85.63 -18.32 33.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.336 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 50' ' ' ASP . 49.4 mmtm -93.21 -5.33 50.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.64 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.536 ' HB2' ' O ' ' A' ' 68' ' ' ALA . 55.0 t80 -92.13 123.54 35.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -141.95 138.99 32.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -83.41 106.77 15.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.869 0.366 . . . . 0.0 110.494 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.717 ' HB2' HD11 ' A' ' 81' ' ' ILE . 9.7 mp -74.47 146.9 42.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.711 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -86.89 -1.6 57.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.721 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.67 -34.14 76.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.602 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.98 0.84 89.37 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.589 ' NH2' ' OD2' ' A' ' 112' ' ' ASP . 29.6 mmm180 -83.03 157.88 22.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.327 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.969 HD23 ' O ' ' A' ' 114' ' ' TYR . 2.2 tm? -58.84 129.16 40.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.978 0.418 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.906 ' N ' HD13 ' A' ' 80' ' ' LEU . 87.2 mt -116.8 127.71 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.541 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.985 HG13 HG22 ' A' ' 117' ' ' ILE . 85.7 t -112.31 120.23 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -96.71 108.66 21.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.289 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.071 HD12 HD11 ' A' ' 63' ' ' LEU . 83.3 mt -99.54 122.97 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.999 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.549 ' HE2' ' CB ' ' A' ' 68' ' ' ALA . 99.6 mttt -104.39 120.33 40.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.395 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.587 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -159.47 153.4 23.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.507 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.0 m -69.79 147.92 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.25 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.565 ' HB2' HD21 ' A' ' 33' ' ' LEU . 18.9 ptpt -60.72 -28.14 68.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.532 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.56 -42.86 98.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.436 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -105.13 20.81 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.735 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.871 ' CE1' HD23 ' A' ' 63' ' ' LEU . 90.7 t80 -58.19 -48.35 80.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.765 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 67.3 t -61.42 -45.38 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.191 0.519 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.31 -39.6 91.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.012 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.827 HG22 ' O ' ' A' ' 91' ' ' PHE . 4.9 tp -61.6 -28.4 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.818 0.342 . . . . 0.0 110.173 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.66 HD12 ' CH2' ' A' ' 43' ' ' TRP . 33.7 mm -60.66 -47.17 94.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.684 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 100' ' ' ASP . 97.0 mt-10 -65.7 -43.86 87.88 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.96 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.635 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 9.2 m120 -70.54 -39.5 73.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.697 ' NZ ' HG11 ' A' ' 82' ' ' VAL . 5.9 tmtt? -82.43 -49.75 9.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 0.0 111.496 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.094 HD22 HD11 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -59.4 -40.01 85.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.39 -178.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.568 ' CG ' ' O ' ' A' ' 96' ' ' GLU . 99.2 m-20 -62.2 -38.64 89.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.802 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.998 ' HD2' HG21 ' A' ' 140' ' ' ILE . 75.1 mmtt -64.33 -39.67 94.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 1.094 HD11 HD22 ' A' ' 99' ' ' LEU . 42.1 pt -73.6 -34.68 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.554 HG12 ' CD1' ' A' ' 99' ' ' LEU . 28.8 mm -62.31 -44.66 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 110.212 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.494 ' O ' ' HE2' ' A' ' 108' ' ' LYS . 88.9 tt0 -63.12 -41.89 99.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.861 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.541 ' O ' HD23 ' A' ' 109' ' ' LEU . 73.9 mmtt -62.37 -40.18 95.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.266 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.604 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 76.0 mt -61.7 -46.31 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.353 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.85 -43.98 97.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.951 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.494 ' HE2' ' O ' ' A' ' 104' ' ' GLU . 1.2 mppt? -83.26 -30.49 27.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.106 0.479 . . . . 0.0 110.373 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.693 HD11 ' HE1' ' A' ' 114' ' ' TYR . 1.1 pt? -150.11 177.25 10.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.764 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.536 ' HB2' ' HG2' ' A' ' 113' ' ' LYS . 98.4 m-20 -102.33 132.03 48.56 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.159 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.73 HD12 ' CE2' ' A' ' 59' ' ' TYR . 89.1 mt -63.82 -35.42 80.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.311 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.589 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 98.7 m-20 -59.97 -18.37 45.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.61 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.536 ' HG2' ' HB2' ' A' ' 110' ' ' ASP . 73.2 mmtt -63.96 -39.2 93.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.123 0.487 . . . . 0.0 109.973 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.969 ' O ' HD23 ' A' ' 80' ' ' LEU . 56.9 m-85 -79.45 147.05 32.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.162 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.582 ' C ' ' CD2' ' A' ' 80' ' ' LEU . 41.5 mmt180 -104.04 -21.8 13.54 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.68 ' C ' HD12 ' A' ' 117' ' ' ILE . 87.8 t80 -145.99 125.31 13.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.108 0.48 . . . . 0.0 111.411 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.985 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -133.36 139.78 48.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.707 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.519 ' O ' ' HB ' ' A' ' 126' ' ' ILE . 66.7 t30 -133.45 113.03 12.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.888 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.032 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -82.26 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.171 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.543 ' H ' HG22 ' A' ' 126' ' ' ILE . 62.6 p -126.57 161.39 28.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.513 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.581 ' O ' ' O ' ' A' ' 124' ' ' HIS . 99.2 m-20 -47.82 173.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.42 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.5 -39.15 86.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.418 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.0 -35.0 79.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.405 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.581 ' O ' ' O ' ' A' ' 121' ' ' ASN . 79.9 m80 -100.83 151.11 22.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.442 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.3 m-20 -99.51 168.87 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.585 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.921 HD13 ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -108.67 168.36 3.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.24 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.515 ' NZ ' ' OH ' ' A' ' 129' ' ' TYR . 0.3 OUTLIER -144.0 154.53 43.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.135 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.653 ' SG ' ' CG1' ' A' ' 117' ' ' ILE . 83.6 m -121.55 147.59 45.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.714 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.56 ' CD1' ' HD2' ' A' ' 116' ' ' PHE . 97.3 m-85 -116.03 134.74 54.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.005 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.601 ' CD2' ' HD3' ' A' ' 131' ' ' LYS . 74.3 t80 -60.27 -48.18 82.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.578 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.601 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 0.1 OUTLIER -117.32 10.76 13.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.408 . . . . 0.0 110.42 179.37 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.542 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 91.16 -12.42 69.23 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.527 ' O ' ' HG2' ' A' ' 134' ' ' LYS . 87.2 t80 -161.75 116.44 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 133' ' ' PHE . 14.5 mmtt 171.44 164.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.887 0.375 . . . . 0.0 110.777 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.4 t -68.98 -21.06 64.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.531 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -91.05 118.46 30.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 26.3 pttm -150.99 159.18 44.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.421 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.507 ' HG3' ' OH ' ' A' ' 114' ' ' TYR . 79.7 mm-40 -113.13 145.34 41.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.384 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 11.4 p -136.74 140.91 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.674 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.998 HG21 ' HD2' ' A' ' 101' ' ' LYS . 84.8 mt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.072 -0.965 . . . . 0.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HG3' ' HE3' ' A' ' 5' ' ' LYS . 61.6 mtt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.01 92.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.523 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.19 4.6 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.21 2.58 90.62 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.521 ' HA ' ' OD1' ' A' ' 9' ' ' ASN . 98.5 mttt 55.22 41.95 30.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 7' ' ' ARG . 68.1 m -66.36 146.05 55.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.474 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.536 ' C ' ' O ' ' A' ' 6' ' ' SER . 12.0 mpt_? 27.98 -106.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.394 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.514 ' O ' ' HB2' ' A' ' 9' ' ' ASN . 96.8 m-85 -110.43 7.77 22.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.793 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.521 ' OD1' ' HA ' ' A' ' 5' ' ' LYS . 99.0 m-20 67.34 -75.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.345 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.7 t -61.39 141.35 57.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.308 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 13' ' ' LYS . 93.4 t80 -59.12 131.09 49.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.616 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 8.1 tpm_? -87.9 128.08 35.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.613 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 19.6 ptpt -151.36 160.34 43.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -70.57 144.98 51.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.476 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.4 t -104.26 123.46 47.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.616 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -127.69 -7.78 5.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -90.96 106.93 18.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -103.42 123.1 46.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.601 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.5 m -71.42 143.92 49.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.412 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -150.13 54.41 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.633 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HE3' ' CG ' ' A' ' 26' ' ' TYR . 62.7 pttt -158.08 166.06 33.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.684 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -61.01 135.57 57.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.426 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -68.02 -30.93 70.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.168 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 61.1 ttp180 -60.78 -48.82 80.07 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.607 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 79.2 mm-40 -66.61 -40.42 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.044 0.45 . . . . 0.0 110.399 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.535 ' CG ' ' HE3' ' A' ' 21' ' ' LYS . 5.6 t80 -61.67 -47.5 85.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.579 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.553 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -62.25 -40.31 95.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.583 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 98.5 mm-40 -63.02 -39.44 94.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.602 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.732 ' O ' HD13 ' A' ' 33' ' ' LEU . 78.7 mm-40 -63.37 -39.43 94.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.15 -47.95 83.76 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.869 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.583 ' OD1' ' O ' ' A' ' 28' ' ' GLN . 6.9 p-10 -70.05 -34.64 73.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.491 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.496 HH21 ' CB ' ' A' ' 35' ' ' LYS . 8.9 tpm_? -61.3 -46.06 91.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.739 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 29' ' ' GLU . 9.0 mp -63.98 -44.26 93.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.736 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.3 pt-20 -64.01 -34.94 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.037 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 98.1 mttt -64.31 -40.49 96.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.993 0.425 . . . . 0.0 110.349 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.925 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -62.68 -40.62 97.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.0 ' CD1' HD11 ' A' ' 45' ' ' LEU . 72.1 m-85 -64.85 -38.34 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.535 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.22 -41.3 96.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.369 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -92.98 10.07 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.449 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -102.7 95.31 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.526 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.08 140.74 58.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.715 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.563 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.97 2.46 90.57 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.605 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 93.7 m95 -118.91 139.58 51.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.926 0.393 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 81.6 m-85 -137.41 149.53 46.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.948 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.0 HD11 ' CD1' ' A' ' 37' ' ' PHE . 90.2 mt -112.3 141.52 45.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.433 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.3 t -114.98 128.61 56.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.395 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.6 m -65.1 -40.86 95.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.205 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.18 -46.18 89.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.941 0.4 . . . . 0.0 109.995 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.725 ' HD3' ' CD2' ' A' ' 73' ' ' HIS . 38.4 ttpt -121.89 61.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.636 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.553 ' C ' ' O ' ' A' ' 49' ' ' LYS . 99.2 m-20 -24.4 85.8 0.0 OUTLIER 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.82 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.1 p -159.07 163.7 36.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.471 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.815 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -117.27 145.23 44.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.514 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.537 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 52.2 p90 -149.03 160.21 43.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.876 0.369 . . . . 0.0 110.719 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.605 ' HE3' ' CE2' ' A' ' 43' ' ' TRP . 41.5 ttmt -116.07 129.83 56.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.173 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -90.98 99.63 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.629 ' CD2' ' OH ' ' A' ' 59' ' ' TYR . 0.6 OUTLIER -84.64 -20.03 31.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.295 179.216 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.72 -11.18 72.84 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' O ' ' NE ' ' A' ' 79' ' ' ARG . 57.2 mtmt -115.24 -30.43 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.116 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.803 ' CZ ' HD22 ' A' ' 111' ' ' LEU . 55.3 p90 -156.3 161.67 40.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.11 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 88.9 tt0 -114.87 128.69 56.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 111.109 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.571 HG23 ' CD1' ' A' ' 59' ' ' TYR . 47.3 pt -127.42 137.76 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.158 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.712 HH12 HG21 ' A' ' 81' ' ' ILE . 10.8 ptp85 -139.81 158.28 44.35 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.164 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.553 HD11 HD13 ' A' ' 84' ' ' ILE . 10.2 mp -110.93 149.5 30.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.103 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.834 ' OG ' ' HB2' ' A' ' 68' ' ' ALA . 91.4 p -147.33 163.06 37.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.783 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.473 ' CG ' ' H ' ' A' ' 66' ' ' HIS . 2.1 t-20 -56.77 -163.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.557 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.528 ' O ' ' HD2' ' A' ' 85' ' ' LYS . 53.8 p-80 -62.69 -19.82 64.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.265 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.9 p -123.11 93.51 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.834 ' HB2' ' OG ' ' A' ' 64' ' ' SER . . . -83.83 -20.55 32.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.689 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.485 ' O ' ' HD2' ' A' ' 72' ' ' TYR . 57.1 p30 -80.9 -7.82 59.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -61.03 -40.83 95.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.777 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -124.99 44.42 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.957 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.485 ' HD2' ' O ' ' A' ' 69' ' ' ASP . 36.9 p90 -65.73 143.29 57.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.491 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.725 ' CD2' ' HD3' ' A' ' 49' ' ' LYS . 5.4 m-70 -130.73 154.7 47.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.56 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.769 ' C ' HD13 ' A' ' 75' ' ' LEU . 98.7 m-20 -63.02 147.37 50.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.379 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.949 ' H ' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -97.21 99.77 11.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.872 0.368 . . . . 0.0 110.756 -179.738 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -94.9 -8.12 38.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.451 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.531 ' ND2' ' OE1' ' A' ' 60' ' ' GLU . 99.3 m-20 -65.84 -32.18 73.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.054 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.442 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . 75.63 21.06 77.72 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 78' ' ' GLY . 30.4 mmm180 -126.25 156.54 40.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.464 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.039 HD12 ' O ' ' A' ' 111' ' ' LEU . 3.0 tt -56.97 128.37 36.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.628 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.02 ' N ' HD23 ' A' ' 80' ' ' LEU . 87.9 mt -119.18 124.83 73.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.28 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.03 HG13 HG22 ' A' ' 117' ' ' ILE . 97.2 t -118.18 124.5 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.381 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.517 ' OD1' ' HG2' ' A' ' 62' ' ' ARG . 98.2 m-20 -110.91 135.18 51.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.237 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.595 ' HA ' ' HB3' ' A' ' 119' ' ' ALA . 2.5 mp -119.82 126.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.803 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.551 ' O ' ' OD1' ' A' ' 121' ' ' ASN . 37.7 mtmm -99.69 128.18 45.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.418 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.533 ' HA ' ' OD1' ' A' ' 121' ' ' ASN . . . -159.28 154.55 25.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.693 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.5 t -63.71 141.93 58.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.283 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HB2' HD21 ' A' ' 33' ' ' LEU . 9.7 ptpp? -58.87 -29.41 66.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.539 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.607 HD23 ' OE1' ' A' ' 29' ' ' GLU . 87.1 mt -64.43 -39.37 93.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.0 0.428 . . . . 0.0 110.187 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -105.29 20.22 19.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.624 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CZ ' ' CZ ' ' A' ' 37' ' ' PHE . 86.7 t80 -58.24 -49.2 77.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.881 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 1.049 ' O ' HG22 ' A' ' 95' ' ' ILE . 59.0 t -62.79 -44.01 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.134 0.492 . . . . 0.0 110.496 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.13 -40.35 93.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.327 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 91' ' ' PHE . 3.9 tp -58.81 -33.37 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.018 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 1.049 HG22 ' O ' ' A' ' 92' ' ' VAL . 15.6 tt -62.71 -36.92 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.535 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.72 -47.84 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.564 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 50.8 t30 -71.77 -45.64 61.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.619 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.59 ' NZ ' ' CD1' ' A' ' 126' ' ' ILE . 58.1 tptt -64.55 -42.9 95.41 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.393 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 95' ' ' ILE . 3.5 mm? -57.57 -42.06 82.32 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.336 -0.545 . . . . 0.0 109.626 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.74 -39.37 93.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.256 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.751 ' HD2' HD13 ' A' ' 140' ' ' ILE . 75.9 mmtt -63.15 -39.0 93.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.032 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.562 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.28 -41.61 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.867 -179.122 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.796 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.0 mm -61.72 -46.53 96.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.173 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.51 -43.44 90.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.042 0.449 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.587 ' CE ' HD11 ' A' ' 140' ' ' ILE . 74.5 mmtt -64.25 -40.49 96.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.32 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.796 HG22 ' O ' ' A' ' 103' ' ' ILE . 20.2 tt -66.46 -32.16 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.71 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.59 -40.39 96.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.028 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -74.35 -39.5 62.74 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.176 0.513 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.159 HD11 ' CE1' ' A' ' 114' ' ' TYR . 1.2 pp -157.68 154.2 27.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.846 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.725 ' O ' HD12 ' A' ' 109' ' ' LEU . 99.3 m-20 -66.16 145.84 55.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.54 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 1.039 ' O ' HD12 ' A' ' 80' ' ' LEU . 7.4 mp -62.91 -39.71 95.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.739 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.56 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 61.8 t0 -51.34 -14.67 0.3 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.569 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.416 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 33.5 mmtp -65.42 -37.18 86.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.3 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 1.159 ' CE1' HD11 ' A' ' 109' ' ' LEU . 70.6 m-85 -96.93 129.47 44.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.852 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.552 ' HD3' ' O ' ' A' ' 131' ' ' LYS . 78.3 ttt-85 -64.73 -43.63 92.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.984 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 118' ' ' ASN . 93.8 t80 -150.31 134.29 16.9 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.161 0.505 . . . . 0.0 111.994 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 1.03 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -126.89 138.31 55.22 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.333 178.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.587 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 66.4 t30 -131.18 112.03 12.46 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.699 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -82.01 153.3 26.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.148 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.584 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 68.0 p -127.92 162.05 27.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.232 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.551 ' OD1' ' O ' ' A' ' 85' ' ' LYS . 87.4 m-20 -52.73 149.92 5.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.169 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 123' ' ' GLU . 2.0 pp -46.17 -30.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.34 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.491 ' N ' HD12 ' A' ' 122' ' ' LEU . 88.7 tt0 -66.45 -35.06 79.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 121' ' ' ASN . 99.1 m-70 -102.21 164.94 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.567 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.584 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.2 m-20 -97.74 165.99 11.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.59 ' CD1' ' NZ ' ' A' ' 98' ' ' LYS . 18.7 tt -108.34 141.35 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.543 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 127' ' ' LYS . 2.2 mmmm -119.0 152.06 37.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.6 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.998 ' SG ' HD11 ' A' ' 117' ' ' ILE . 53.6 t -134.85 128.9 33.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -112.16 136.28 51.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.318 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -60.05 -49.52 77.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.761 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.572 ' HE2' ' CZ ' ' A' ' 133' ' ' PHE . 17.1 ptmt -118.04 19.14 13.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.002 0.43 . . . . 0.0 110.432 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.35 -18.88 55.39 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.572 ' CZ ' ' HE2' ' A' ' 131' ' ' LYS . 52.0 p90 -163.26 128.9 3.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 133' ' ' PHE . 6.1 mmmt 170.57 165.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.566 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.3 p -68.69 -23.04 64.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.843 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -93.8 119.29 32.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.449 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -150.7 158.46 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.592 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.507 ' OE2' ' HD2' ' A' ' 105' ' ' LYS . 88.8 tt0 -112.91 129.44 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.191 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.2 140.85 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 110.764 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.751 HD13 ' HD2' ' A' ' 101' ' ' LYS . 82.9 mt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.5 tpp . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 3' ' ' TYR . . . 56.36 47.48 18.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.631 ' CD2' ' N ' ' A' ' 4' ' ' GLY . 89.6 t80 71.32 -99.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.46 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.631 ' N ' ' CD2' ' A' ' 3' ' ' TYR . . . 57.57 -131.59 52.13 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -140.16 50.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.759 0.314 . . . . 0.0 110.74 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.57 ' O ' ' C ' ' A' ' 7' ' ' ARG . 40.3 t -62.87 140.99 58.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.38 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.57 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.0 OUTLIER 26.82 -95.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.16 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 6' ' ' SER . 95.3 m-85 -110.27 -24.63 10.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.975 0.417 . . . . 0.0 110.207 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 61.0 t30 53.51 38.88 29.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.642 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.8 p -100.58 -19.02 16.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.755 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.509 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 94.0 t80 -147.22 130.75 16.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.681 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 11' ' ' TYR . 43.6 ttm180 173.03 -93.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.656 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -132.4 131.45 41.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.489 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.526 HH21 ' NH1' ' A' ' 18' ' ' ARG . 36.5 ptt-85 -62.5 144.46 55.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.731 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.6 p -101.59 4.44 40.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.782 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -69.89 142.74 52.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.847 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -101.55 148.9 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.509 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.526 ' NH1' HH21 ' A' ' 14' ' ' ARG . 0.0 OUTLIER -149.87 161.89 41.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.699 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m 56.45 41.08 29.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.73 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.551 ' O ' ' O ' ' A' ' 21' ' ' LYS . 74.3 m-20 -77.57 135.98 38.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.538 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' O ' ' O ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER 34.32 -159.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.624 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.559 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 98.3 mm-40 53.43 41.06 32.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.45 -39.22 92.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.54 -42.31 96.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.652 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -61.88 -39.95 93.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 22' ' ' GLN . 74.0 m-85 -65.28 -39.38 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.467 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.99 96.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -62.97 -40.94 99.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.385 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 98.7 mt-10 -63.2 -39.28 94.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.495 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.49 ' SD ' ' C ' ' A' ' 30' ' ' MET . 19.4 tmm? -60.66 -44.55 96.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.548 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.25 -47.15 87.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 110.124 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -61.78 -44.1 97.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.693 HD21 ' CE1' ' A' ' 37' ' ' PHE . 7.8 tt -61.4 -44.53 96.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.468 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.95 -40.96 97.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.564 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.09 -43.74 95.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.702 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.517 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.84 -39.96 91.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.412 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.064 ' CD1' HD11 ' A' ' 45' ' ' LEU . 43.3 m-85 -67.57 -33.45 75.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.991 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.89 -40.77 89.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.318 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -97.78 7.56 46.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.639 HD12 ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -101.13 98.33 8.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.849 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.8 t0 -66.93 134.71 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.769 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 92.19 -1.06 72.91 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.667 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.663 ' CH2' HD11 ' A' ' 63' ' ' LEU . 95.0 m95 -118.36 138.0 52.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.999 0.428 . . . . 0.0 110.942 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -137.68 148.56 45.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.577 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.064 HD11 ' CD1' ' A' ' 37' ' ' PHE . 93.5 mt -118.17 137.95 52.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 70.8 m -119.15 129.7 55.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.098 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.528 ' HA ' ' OD1' ' A' ' 50' ' ' ASP . 92.7 p -67.04 -37.67 84.52 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.083 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.96 -45.27 95.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.622 ' O ' ' C ' ' A' ' 50' ' ' ASP . 24.5 mmmt -118.57 39.57 3.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.369 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.4 m-20 -8.74 77.97 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.617 0.573 . . . . 0.0 110.798 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.8 t -152.74 149.33 28.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.067 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.813 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -111.35 141.87 44.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.351 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' HB2' ' OE2' ' A' ' 60' ' ' GLU . 53.3 p90 -150.31 160.05 44.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.964 0.412 . . . . 0.0 111.179 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.632 ' HE3' ' CE2' ' A' ' 43' ' ' TRP . 41.8 ttmt -119.32 129.98 55.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.957 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -94.79 126.69 40.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.951 0.405 . . . . 0.0 111.269 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.776 ' CD1' ' CZ ' ' A' ' 59' ' ' TYR . 98.1 m-85 -108.92 -14.74 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.879 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.46 -10.87 73.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -115.46 -31.98 5.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.87 0.367 . . . . 0.0 110.357 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.776 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 51.3 p90 -152.57 162.64 40.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.53 ' OE2' ' HB2' ' A' ' 53' ' ' TYR . 16.6 tm-20 -118.41 130.46 55.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.91 0.386 . . . . 0.0 111.051 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.606 HG23 ' CD1' ' A' ' 59' ' ' TYR . 44.8 pt -126.74 137.11 58.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.228 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.508 ' HB3' ' HB3' ' A' ' 53' ' ' TYR . 41.2 ptt180 -140.4 157.68 45.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.434 . . . . 0.0 111.077 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.775 HD12 ' N ' ' A' ' 63' ' ' LEU . 3.1 mp -115.24 149.42 37.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.167 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.6 p -148.42 164.75 33.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.941 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.587 ' OD1' ' NZ ' ' A' ' 88' ' ' LYS . 61.1 t30 -56.82 177.62 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.323 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.493 ' HE2' ' HB3' ' A' ' 87' ' ' SER . 96.1 m-70 -62.0 -38.89 90.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.165 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.49 ' OG ' ' NH1' ' A' ' 18' ' ' ARG . 40.7 t -59.8 139.13 57.54 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.66 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.522 ' CB ' ' HE3' ' A' ' 71' ' ' LYS . . . -93.66 23.28 4.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.466 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -59.17 -43.48 92.13 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.006 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -94.53 1.91 55.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.091 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HE3' ' CB ' ' A' ' 68' ' ' ALA . 40.9 ttmt -61.96 -40.53 95.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.78 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -65.7 144.84 56.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.629 ' CE1' ' CD1' ' A' ' 81' ' ' ILE . 21.3 t60 -91.31 109.82 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.835 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -99.17 -30.64 12.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.244 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.586 ' O ' ' CE1' ' A' ' 73' ' ' HIS . 7.2 tt -137.35 136.63 38.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.0 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.59 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 25.6 pm0 -107.84 142.9 37.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.95 0.405 . . . . 0.0 110.734 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -100.41 10.79 40.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.406 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.61 4.56 89.01 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -126.27 157.18 38.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.753 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.2 OUTLIER -55.73 140.62 41.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.629 ' CD1' ' CE1' ' A' ' 73' ' ' HIS . 1.5 mp -107.48 128.42 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.082 0.468 . . . . 0.0 110.991 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.863 HG22 ' CG1' ' A' ' 117' ' ' ILE . 48.0 t -124.46 124.82 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.551 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.545 ' HB2' ' OD1' ' A' ' 118' ' ' ASN . 85.3 m-20 -107.93 126.33 52.56 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.748 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.817 HG12 ' HB3' ' A' ' 119' ' ' ALA . 85.5 mt -117.62 127.69 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.468 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.555 ' HD2' ' O ' ' A' ' 65' ' ' ASN . 49.7 mmtm -95.67 128.92 42.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.646 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.719 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . . . -160.22 147.7 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.773 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.587 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.5 p -73.49 161.78 30.0 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.587 ' NZ ' ' OD1' ' A' ' 65' ' ' ASN . 13.3 mptt -62.44 -41.85 99.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.604 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.85 -40.78 92.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -104.25 13.32 32.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.734 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.607 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 88.1 t80 -59.14 -49.39 78.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.803 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.821 ' HA ' HD12 ' A' ' 95' ' ' ILE . 7.5 p -70.66 -33.49 53.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.588 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.04 -40.17 94.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.719 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 7.1 tt -65.0 -29.12 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.992 0.425 . . . . 0.0 109.955 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.821 HD12 ' HA ' ' A' ' 92' ' ' VAL . 88.9 mt -61.42 -42.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.22 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.16 -45.03 94.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.645 ' ND2' HD21 ' A' ' 122' ' ' LEU . 6.0 p30 -81.56 -41.04 22.18 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.542 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.558 ' CG ' HG12 ' A' ' 94' ' ' ILE . 47.8 mmtm -64.82 -40.12 94.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.979 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 95' ' ' ILE . 8.1 mp -62.81 -42.01 99.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.113 0.482 . . . . 0.0 109.824 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -63.65 -40.8 97.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 74.8 mmtt -63.77 -39.54 94.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.701 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.58 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 44.1 pt -74.18 -38.03 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.937 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 99' ' ' LEU . 28.4 mm -62.49 -44.77 99.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.826 0.346 . . . . 0.0 110.481 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.66 -42.73 99.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.105 0.478 . . . . 0.0 109.916 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.799 ' HE3' HD12 ' A' ' 140' ' ' ILE . 98.1 mttt -62.65 -39.95 95.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.512 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.584 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 77.3 mt -61.63 -47.44 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.69 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.53 -41.41 98.48 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.377 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 108' ' ' LYS . 35.5 mmtp -74.99 -36.61 61.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.306 0.574 . . . . 0.0 109.975 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 2.6 pp -152.95 174.5 14.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.845 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.522 ' HB2' ' HG3' ' A' ' 113' ' ' LYS . 99.3 m-20 -95.87 126.69 41.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.054 0.454 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.54 ' CD1' HG13 ' A' ' 106' ' ' ILE . 90.5 mt -63.57 -38.26 90.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.506 ' OD1' ' HB3' ' A' ' 110' ' ' ASP . 58.9 p30 -60.76 -13.99 18.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.852 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.522 ' HG3' ' HB2' ' A' ' 110' ' ' ASP . 29.5 mtpp -64.61 -38.85 92.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.319 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.753 ' O ' HD11 ' A' ' 80' ' ' LEU . 30.3 m-85 -74.42 125.07 27.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.065 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.56 ' HD3' ' CA ' ' A' ' 131' ' ' LYS . 83.1 mtp180 -63.76 -39.33 94.01 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.117 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -147.93 122.15 9.57 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.994 0.426 . . . . 0.0 111.323 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.863 ' CG1' HG22 ' A' ' 82' ' ' VAL . 29.8 pt -130.77 150.49 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.549 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.545 ' OD1' ' HB2' ' A' ' 83' ' ' ASN . 50.0 t30 -148.73 117.07 6.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.044 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.817 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.64 155.63 23.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.656 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.58 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 70.8 p -127.95 161.42 29.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.989 0.423 . . . . 0.0 110.785 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.517 ' O ' ' O ' ' A' ' 120' ' ' THR . 82.4 m-20 -40.77 167.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.127 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.645 HD21 ' ND2' ' A' ' 97' ' ' ASN . 92.6 mt -60.94 -40.95 95.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.293 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.22 -34.41 77.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.123 0.487 . . . . 0.0 110.045 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.496 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 65.5 m170 -80.3 162.82 24.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.58 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.9 m-20 -98.18 155.56 17.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 1.062 ' O ' HG23 ' A' ' 139' ' ' VAL . 13.7 tt -108.82 135.86 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.028 0.442 . . . . 0.0 110.942 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.585 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 10.2 mptt -124.65 149.93 46.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.557 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.714 ' SG ' ' CG ' ' A' ' 114' ' ' TYR . 52.1 t -133.35 126.29 31.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.482 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -108.4 127.42 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.172 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.511 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 72.6 t80 -59.88 -48.78 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.524 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.56 ' CA ' ' HD3' ' A' ' 115' ' ' ARG . 99.5 mttt -110.93 9.16 22.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.312 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.482 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.15 -12.86 68.52 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -178.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -161.23 116.13 2.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 171.09 165.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.902 0.382 . . . . 0.0 110.769 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 96.0 m -66.76 -40.98 88.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.165 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -71.47 119.0 14.99 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.982 0.42 . . . . 0.0 110.701 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -151.4 158.42 43.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.464 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 128' ' ' CYS . 52.8 tp10 -114.4 126.17 54.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.009 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 1.062 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.1 p -133.97 142.97 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.815 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.799 HD12 ' HE3' ' A' ' 105' ' ' LYS . 93.3 mt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.543 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.7 tpt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.67 152.49 35.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.433 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.468 ' O ' ' HB2' ' A' ' 6' ' ' SER . 94.8 m-85 -128.44 146.33 50.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.582 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.25 -40.1 98.12 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.504 ' HA ' ' OD1' ' A' ' 9' ' ' ASN . 22.3 ptmt -61.87 -22.63 65.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.61 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 3' ' ' TYR . 74.5 m -62.45 -39.97 95.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.7 mtp85 -84.37 59.61 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 52.55 32.89 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.504 ' OD1' ' HA ' ' A' ' 5' ' ' LYS . 82.8 m-20 53.86 39.68 30.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.515 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.5 m -62.24 -41.1 98.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.299 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -129.38 142.37 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.311 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -143.76 9.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.63 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -117.07 127.77 54.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -130.16 147.86 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.182 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.1 t -63.45 135.26 56.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.675 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.579 ' CZ ' ' HG2' ' A' ' 18' ' ' ARG . 94.0 t80 -151.21 120.39 6.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.325 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -150.73 106.23 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.235 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.579 ' HG2' ' CZ ' ' A' ' 16' ' ' PHE . 19.3 ptp180 -157.8 161.58 38.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.284 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.577 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 98.3 p -62.82 -26.57 68.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.922 0.391 . . . . 0.0 110.203 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 19' ' ' SER . 0.6 OUTLIER 160.8 -100.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.737 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.576 ' O ' ' O ' ' A' ' 22' ' ' GLN . 64.4 tttm -145.7 132.68 20.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.751 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 21' ' ' LYS . 30.5 mm100 53.5 127.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.77 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -61.94 -22.62 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.507 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.35 -44.74 95.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.417 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.33 -41.02 98.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.476 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.705 ' CE2' ' SD ' ' A' ' 30' ' ' MET . 91.0 t80 -59.48 -47.73 84.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.813 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.81 92.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.829 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -63.53 -39.63 94.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.432 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.672 ' CD ' HD23 ' A' ' 89' ' ' LEU . 54.4 tp10 -61.51 -42.14 98.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.395 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.705 ' SD ' ' CE2' ' A' ' 26' ' ' TYR . 98.4 mtp -62.37 -40.38 96.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.03 -47.88 84.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.06 0.457 . . . . 0.0 110.075 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -61.97 -44.2 97.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.753 HD21 ' CE1' ' A' ' 37' ' ' PHE . 8.8 tt -61.66 -44.47 96.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.617 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.19 -39.04 91.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.22 -44.57 95.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.932 ' HB3' ' HZ ' ' A' ' 91' ' ' PHE . . . -61.46 -41.08 96.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.709 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.98 ' CG ' HD11 ' A' ' 45' ' ' LEU . 46.1 m-85 -66.2 -35.97 81.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.738 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.92 -41.99 92.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.21 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -93.89 10.01 35.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.355 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.861 HD22 ' CD1' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -102.36 86.25 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.646 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.24 140.24 58.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.361 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.564 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 90.25 -8.95 78.93 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.861 ' CD1' HD22 ' A' ' 40' ' ' LEU . 93.6 m95 -117.53 136.49 53.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.892 0.377 . . . . 0.0 110.46 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 71.3 m-85 -137.89 149.04 45.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.742 -179.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.98 HD11 ' CG ' ' A' ' 37' ' ' PHE . 2.7 mp -120.38 144.64 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.739 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -115.46 129.9 56.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.447 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.5 p -65.86 -37.78 87.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.801 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.67 -40.01 95.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.667 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.623 ' O ' ' C ' ' A' ' 50' ' ' ASP . 38.1 mtmm -116.82 38.93 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.623 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.6 p30 -5.87 75.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.658 0.599 . . . . 0.0 111.145 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.3 p -155.37 164.55 38.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.459 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.412 ' CB ' ' CE2' ' A' ' 37' ' ' PHE . . . -117.22 146.55 43.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.156 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.685 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.2 p90 -149.61 160.29 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.121 0.486 . . . . 0.0 111.216 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.684 ' HB3' HD11 ' A' ' 61' ' ' ILE . 65.1 tttp -133.67 132.5 40.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.246 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 67.8 t0 -114.34 108.23 16.64 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.612 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.654 ' HE1' HD13 ' A' ' 61' ' ' ILE . 76.1 m-85 -80.09 -11.96 59.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.049 0.452 . . . . 0.0 110.182 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 93.34 -10.92 72.6 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -109.81 -29.24 8.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.127 0.489 . . . . 0.0 109.993 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.737 ' CE2' HD12 ' A' ' 111' ' ' LEU . 51.3 p90 -155.47 161.28 40.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.329 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.586 ' O ' HD12 ' A' ' 81' ' ' ILE . 89.0 tt0 -105.7 129.83 53.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.215 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.684 HD11 ' HB3' ' A' ' 54' ' ' LYS . 45.7 pt -127.32 138.75 53.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.788 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.795 HH12 ' HB1' ' A' ' 68' ' ' ALA . 52.5 ptt85 -136.24 156.02 49.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.074 0.464 . . . . 0.0 111.313 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.795 HD11 HD11 ' A' ' 95' ' ' ILE . 88.4 mt -113.45 140.48 48.06 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.677 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 48.5 t -148.2 151.34 35.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.337 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.549 ' O ' ' O ' ' A' ' 64' ' ' SER . 53.1 t30 -54.9 -144.77 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.556 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.446 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 95.6 m-70 -60.72 -39.77 89.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.414 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.8 m -115.52 131.01 57.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.204 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.795 ' HB1' HH12 ' A' ' 62' ' ' ARG . . . -111.33 -46.2 3.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.807 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.593 ' OD1' ' N ' ' A' ' 70' ' ' ASN . 49.4 p-10 -66.14 -39.44 89.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.792 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.593 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 65.2 t30 -62.58 -44.26 96.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.51 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -61.81 -45.69 92.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.621 ' CZ ' ' HD3' ' A' ' 49' ' ' LYS . 2.7 t80 -146.58 130.49 17.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.735 -179.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -62.47 133.29 54.78 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.575 ' C ' HD13 ' A' ' 75' ' ' LEU . 98.8 m-20 -61.73 140.33 58.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.712 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.811 HD22 ' N ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -114.11 143.16 45.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.335 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 51.3 mp0 -103.87 116.59 32.55 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.306 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -100.8 10.07 41.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.692 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.33 12.25 84.75 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -129.34 158.78 38.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.748 0.308 . . . . 0.0 110.279 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.904 HD21 ' O ' ' A' ' 114' ' ' TYR . 0.1 OUTLIER -55.83 138.0 49.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.273 -179.779 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.66 ' H ' HD13 ' A' ' 80' ' ' LEU . 9.8 tp -129.34 135.62 61.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.966 ' CG2' HD11 ' A' ' 117' ' ' ILE . 57.2 t -123.0 124.57 70.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.759 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.631 ' ND2' ' OD1' ' A' ' 118' ' ' ASN . 13.0 t30 -98.07 110.34 22.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.425 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.644 ' CD1' ' HB3' ' A' ' 119' ' ' ALA . 47.2 mm -109.96 122.9 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.803 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -87.98 136.8 32.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.423 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.704 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -150.07 157.22 42.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.524 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.596 ' O ' ' N ' ' A' ' 91' ' ' PHE . 67.1 m -97.88 140.68 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 58.4 mtmt -62.55 -39.3 93.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.672 HD23 ' CD ' ' A' ' 29' ' ' GLU . 89.0 mt -62.9 -39.75 95.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.558 ' ND2' ' HB3' ' A' ' 93' ' ' ASP . 57.0 t30 -127.07 37.8 4.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.806 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.932 ' HZ ' ' HB3' ' A' ' 36' ' ' ALA . 19.3 p90 -66.59 -31.9 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.263 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' ' 93' ' ' ASP . 7.8 p -71.44 -43.71 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.558 ' HB3' ' ND2' ' A' ' 90' ' ' ASN . 67.3 t0 -62.65 -42.04 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.754 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.842 HG22 ' O ' ' A' ' 91' ' ' PHE . 14.2 tt -59.51 -29.3 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.528 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 63' ' ' LEU . 30.7 mm -61.86 -44.29 98.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.0 111.018 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.49 -40.79 97.83 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 31.8 m120 -84.99 -49.89 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.86 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.753 ' NZ ' ' HB1' ' A' ' 119' ' ' ALA . 30.3 mmmt -64.73 -41.0 96.27 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.477 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.587 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 8.5 tt -61.69 -40.16 94.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.066 0.46 . . . . 0.0 109.954 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -60.93 -38.49 86.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.349 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 50.0 mmtm -62.66 -40.02 95.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.071 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.78 ' N ' HD13 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -77.24 -39.63 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -178.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.879 ' O ' HG22 ' A' ' 106' ' ' ILE . 33.3 mm -61.59 -46.08 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.501 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -65.5 -42.48 92.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.051 0.453 . . . . 0.0 110.466 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.5 mtpt -63.47 -40.91 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.251 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.879 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.0 tt -66.3 -28.45 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.77 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.92 -39.71 92.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.609 ' HB2' HD13 ' A' ' 109' ' ' LEU . 58.7 mtmt -73.45 -37.37 65.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.004 0.43 . . . . 0.0 110.056 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.887 HD13 ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -152.1 168.01 26.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.954 -179.811 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -81.55 143.41 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.737 HD12 ' CE2' ' A' ' 59' ' ' TYR . 94.8 mt -67.35 -29.79 69.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.457 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.507 ' HA ' ' HG ' ' A' ' 80' ' ' LEU . 98.5 m-20 -61.95 -19.11 62.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.031 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 109' ' ' LEU . 68.4 mttm -64.47 -38.52 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 110.365 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.904 ' O ' HD21 ' A' ' 80' ' ' LEU . 26.7 m-85 -80.81 118.71 22.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.98 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.549 ' CG ' ' HA ' ' A' ' 131' ' ' LYS . 27.9 mmm180 -63.36 -39.81 95.55 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -150.33 120.87 7.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.876 0.37 . . . . 0.0 111.073 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.966 HD11 ' CG2' ' A' ' 82' ' ' VAL . 31.7 pt -128.66 150.37 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.71 178.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.631 ' OD1' ' ND2' ' A' ' 83' ' ' ASN . 48.4 t30 -148.42 112.35 5.14 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.648 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.753 ' HB1' ' NZ ' ' A' ' 98' ' ' LYS . . . -90.04 156.28 18.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.011 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.578 ' O ' ' O ' ' A' ' 121' ' ' ASN . 69.1 p -124.59 161.51 26.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.578 ' O ' ' O ' ' A' ' 120' ' ' THR . 83.6 m-20 -39.34 170.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.779 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.58 -39.95 89.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.571 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.58 -34.42 77.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.057 0.456 . . . . 0.0 109.79 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.559 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 80.1 m80 -81.3 164.57 22.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.46 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.497 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.8 m-20 -97.58 160.35 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.352 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 139' ' ' VAL . 17.9 tt -108.95 141.92 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.021 0.438 . . . . 0.0 110.81 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.723 ' NZ ' ' CZ ' ' A' ' 129' ' ' TYR . 11.2 ptmm? -135.55 150.33 49.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.657 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.706 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 51.4 t -135.24 129.01 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.98 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.723 ' CZ ' ' NZ ' ' A' ' 127' ' ' LYS . 22.1 m-30 -110.61 129.92 55.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.609 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 71.1 t80 -60.75 -49.15 78.66 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.484 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.609 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 99.5 mttt -116.84 3.82 12.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.92 0.391 . . . . 0.0 110.38 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.459 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.5 -14.94 63.56 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.561 ' O ' ' HB3' ' A' ' 134' ' ' LYS . 87.0 t80 -162.53 115.09 1.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.616 ' N ' ' CE ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER 171.83 166.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.195 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 82.8 p -68.7 -18.06 64.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.379 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.498 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 25.4 ttmm -94.1 117.26 29.85 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.14 0.495 . . . . 0.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -150.81 158.32 44.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.373 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -125.52 129.38 49.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.359 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 126' ' ' ILE . 13.2 p -137.89 142.73 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.693 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.556 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.9 92.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.401 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 96.5 m-85 -64.17 -38.99 93.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.587 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.98 -40.4 98.4 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.67 -44.77 96.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.523 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -62.43 -39.62 93.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 3' ' ' TYR . 41.7 mmt180 -61.05 -41.55 96.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.101 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -119.56 106.86 12.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.448 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -95.85 132.73 40.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.747 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.6 m -62.27 -40.23 95.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.623 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.603 ' CE1' ' HB2' ' A' ' 14' ' ' ARG . 94.0 t80 -62.13 130.49 45.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.758 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.602 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 40.0 ptt180 -179.06 -52.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.726 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.602 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 64.2 mttp -100.37 3.44 43.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.677 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.603 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 16.3 mmp_? -61.89 -39.29 91.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.565 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.546 ' OG ' ' OH ' ' A' ' 11' ' ' TYR . 69.6 m -64.31 148.85 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.457 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.26 137.39 41.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.623 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -101.59 17.51 22.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -152.93 161.08 42.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.735 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.527 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 6.8 t 47.37 46.55 17.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.631 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.581 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . 65.3 t30 -61.04 -42.01 97.67 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.651 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -115.8 -65.1 1.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.48 ' O ' ' HD1' ' A' ' 26' ' ' TYR . 98.3 mt-30 -135.83 143.36 45.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.912 0.387 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.435 ' CD ' ' OG ' ' A' ' 19' ' ' SER . 55.6 mmm-85 -64.06 -38.91 92.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.583 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.96 -38.64 89.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.064 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.03 -44.15 94.81 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.314 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.581 ' OH ' ' CB ' ' A' ' 20' ' ' ASN . 76.0 m-85 -67.95 -36.33 79.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.356 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.96 91.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -63.27 -39.73 95.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.263 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.777 ' OE2' HD11 ' A' ' 33' ' ' LEU . 16.7 tm-20 -61.85 -40.42 95.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.189 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 60.7 ttm -60.49 -44.54 95.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.457 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.15 -39.77 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.298 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.86 -38.83 92.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.362 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.777 HD11 ' OE2' ' A' ' 29' ' ' GLU . 87.5 mt -61.86 -39.4 91.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.24 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.3 -39.96 94.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.298 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.41 -40.11 95.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.383 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.869 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.36 -39.89 92.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.3 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.624 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 71.1 t80 -58.58 -48.38 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.286 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.97 -38.23 87.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.428 ' C ' HD22 ' A' ' 40' ' ' LEU . 34.3 m120 -94.53 5.84 50.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 36' ' ' ALA . 3.3 mm? -114.45 103.39 11.0 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.889 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -68.03 128.02 34.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.832 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.547 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 80.22 16.69 75.84 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.061 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.624 ' O ' ' CE1' ' A' ' 37' ' ' PHE . 93.7 m95 -118.43 138.28 52.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.993 0.396 . . . . 0.0 110.799 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.591 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 77.5 m-85 -136.86 144.33 43.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.501 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.745 HD23 ' HA ' ' A' ' 52' ' ' ALA . 92.0 mt -121.2 135.7 55.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.821 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.5 p -120.46 137.23 54.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.393 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.4 p -69.43 -37.08 77.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.99 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.471 ' HE3' ' HG3' ' A' ' 49' ' ' LYS . 67.2 ttp -60.89 -45.64 93.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.634 ' O ' ' C ' ' A' ' 50' ' ' ASP . 69.0 mttm -115.87 38.29 3.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.1 t0 -4.48 75.0 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.611 0.569 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.596 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.0 p -155.25 167.15 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.872 ' HB3' HD13 ' A' ' 63' ' ' LEU . . . -108.49 135.54 49.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.633 ' CD2' ' OE2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -110.16 136.92 48.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.481 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.973 ' HD2' HD11 ' A' ' 61' ' ' ILE . 10.6 ttmt -132.93 120.07 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.642 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.562 ' OD1' ' OE1' ' A' ' 60' ' ' GLU . 98.0 m-20 -104.5 122.66 46.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.758 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CE1' ' HE2' ' A' ' 54' ' ' LYS . 1.4 m-30 -113.14 -13.78 12.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.323 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.18 -10.76 73.1 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.176 -1.169 . . . . 0.0 110.176 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 39.8 ttmt -113.04 -41.55 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.097 0.475 . . . . 0.0 110.045 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.473 ' HA ' ' HD2' ' A' ' 79' ' ' ARG . 53.5 p90 -153.41 160.82 42.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.468 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.633 ' OE2' ' CD2' ' A' ' 53' ' ' TYR . 52.2 tp10 -115.33 131.82 56.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.921 0.391 . . . . 0.0 111.001 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 82' ' ' VAL . 48.8 pt -127.31 136.94 59.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.137 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.628 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 20.4 ptp180 -140.28 159.16 42.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.145 HD22 ' CE1' ' A' ' 91' ' ' PHE . 2.5 mp -111.96 147.4 35.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.931 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.544 ' O ' ' O ' ' A' ' 65' ' ' ASN . 43.0 t -146.76 147.86 31.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.544 ' O ' ' O ' ' A' ' 64' ' ' SER . 50.8 t30 -55.9 -149.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.893 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.453 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 86.6 t60 -59.6 -47.19 86.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 t -76.36 131.55 39.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.486 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.574 ' HB2' ' HD3' ' A' ' 85' ' ' LYS . . . -114.3 23.17 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.437 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.49 ' O ' ' HD2' ' A' ' 72' ' ' TYR . 98.3 m-20 -65.95 -23.01 66.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.762 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.532 ' OD1' ' HG3' ' A' ' 71' ' ' LYS . 54.9 p30 -78.6 0.14 27.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.306 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.589 ' NZ ' ' O ' ' A' ' 84' ' ' ILE . 99.2 mttt -98.86 7.56 45.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.26 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.49 ' HD2' ' O ' ' A' ' 69' ' ' ASP . 27.5 p90 -65.34 141.53 58.54 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.201 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.503 ' NE2' HG21 ' A' ' 81' ' ' ILE . 96.7 m-70 -128.1 126.29 40.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.714 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -113.35 6.56 17.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.393 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.8 tp -139.39 126.26 20.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.511 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -82.76 130.93 35.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.268 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.705 ' ND2' ' O ' ' A' ' 77' ' ' ASN . 0.3 OUTLIER -100.39 4.42 43.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.707 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.76 13.83 82.69 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.557 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 45.7 ptt85 -134.76 161.02 36.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.816 ' N ' HD22 ' A' ' 80' ' ' LEU . 2.5 mm? -77.13 146.64 37.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.783 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.503 HG21 ' NE2' ' A' ' 73' ' ' HIS . 85.9 mt -119.47 129.69 74.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.847 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.057 HG22 ' HB ' ' A' ' 117' ' ' ILE . 68.2 t -109.96 123.57 65.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.26 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.57 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 98.6 m-20 -106.04 120.02 40.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.748 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.758 ' CG1' ' HB3' ' A' ' 119' ' ' ALA . 3.8 mp -119.7 125.11 74.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.428 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.574 ' HD3' ' HB2' ' A' ' 68' ' ' ALA . 56.9 mtmt -101.69 130.66 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.591 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -159.56 152.52 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.642 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.552 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 40.4 t -65.45 139.7 58.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.266 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.533 ' HD3' ' OE1' ' A' ' 29' ' ' GLU . 19.3 ptpt -61.42 -28.32 69.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.599 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.712 HD23 ' CG ' ' A' ' 29' ' ' GLU . 88.3 mt -64.09 -39.57 94.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.552 ' OD1' ' O ' ' A' ' 87' ' ' SER . 55.3 p30 -103.33 23.28 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.51 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 1.145 ' CE1' HD22 ' A' ' 63' ' ' LEU . 80.5 t80 -58.78 -49.12 78.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.06 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 1.035 ' O ' HG22 ' A' ' 95' ' ' ILE . 68.3 t -62.06 -47.1 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.12 0.486 . . . . 0.0 110.603 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.05 -39.68 93.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.54 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 91' ' ' PHE . 4.3 tp -64.38 -29.84 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.014 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 1.035 HG22 ' O ' ' A' ' 92' ' ' VAL . 14.4 tt -62.81 -37.29 78.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.103 -178.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.574 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 53.6 mp0 -65.16 -44.53 88.25 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.18 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.573 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 58.8 t-20 -74.91 -44.62 47.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.331 . . . . 0.0 111.476 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.81 ' HZ1' HD11 ' A' ' 63' ' ' LEU . 39.6 ttpt -64.03 -43.54 95.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.034 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.9 mp -56.7 -39.97 74.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.087 0.47 . . . . 0.0 109.905 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.42 -38.47 89.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.61 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.851 ' C ' ' HZ3' ' A' ' 105' ' ' LYS . 32.1 mmmt -61.8 -44.16 97.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.248 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 98' ' ' LYS . 2.0 mm -75.18 -41.21 44.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.707 -178.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.718 ' O ' HG22 ' A' ' 106' ' ' ILE . 32.8 mm -61.89 -45.02 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.636 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.58 -44.63 90.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.721 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.851 ' HZ3' ' C ' ' A' ' 101' ' ' LYS . 37.1 mtmm -63.77 -41.2 98.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.09 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.718 HG22 ' O ' ' A' ' 103' ' ' ILE . 17.5 tt -70.42 -32.68 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.78 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.08 -40.43 95.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.22 -36.64 17.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.472 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 105' ' ' LYS . 1.0 OUTLIER -157.21 144.87 18.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.782 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.48 148.9 49.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.557 HD21 HG23 ' A' ' 102' ' ' ILE . 10.9 mp -71.24 -11.82 61.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.109 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.61 ' HA ' HD23 ' A' ' 80' ' ' LEU . 65.9 t0 -59.56 -34.48 72.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.756 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.544 ' N ' ' HD2' ' A' ' 113' ' ' LYS . 14.1 mptt -64.93 -22.29 66.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.701 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.509 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 53.0 m-85 -97.17 111.73 23.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.491 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.565 ' HB3' ' N ' ' A' ' 132' ' ' GLY . 0.0 OUTLIER -63.16 -43.5 98.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.277 179.77 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.51 ' CE2' ' HB2' ' A' ' 118' ' ' ASN . 93.1 t80 -129.08 126.69 39.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 1.057 ' HB ' HG22 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -127.53 133.08 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.397 179.76 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.57 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 65.6 t30 -146.45 112.13 5.62 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.341 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.758 ' HB3' ' CG1' ' A' ' 84' ' ' ILE . . . -82.43 152.95 25.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.342 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 40.0 p -122.97 161.46 24.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.253 -179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.566 ' O ' ' O ' ' A' ' 120' ' ' THR . 22.1 m120 -40.54 171.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.13 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.53 -40.29 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.141 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.02 -34.62 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.135 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.494 ' C ' ' OG1' ' A' ' 120' ' ' THR . 79.7 m80 -87.98 158.53 18.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.577 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.2 m-20 -99.06 168.82 9.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.517 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.787 ' O ' HG23 ' A' ' 139' ' ' VAL . 17.7 tt -108.04 133.29 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.045 0.45 . . . . 0.0 110.409 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.461 ' HG2' ' HB ' ' A' ' 139' ' ' VAL . 46.0 mttm -128.41 145.36 51.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.695 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 31.5 p -136.99 164.26 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.485 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.8 m-85 -117.73 140.26 49.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.241 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -60.06 -49.26 78.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.728 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -117.63 11.64 13.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.483 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.565 ' N ' ' HB3' ' A' ' 115' ' ' ARG . . . 93.96 -15.28 63.48 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.526 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.5 t80 -161.78 116.17 1.93 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 65.0 tttp 174.21 158.88 0.16 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.328 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.468 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 13.1 t -68.23 -7.49 30.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.606 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.479 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 60.3 tptt -101.75 120.68 40.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.967 0.413 . . . . 0.0 110.778 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -150.69 158.78 44.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.343 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -123.77 143.34 50.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.628 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.5 p -141.07 141.26 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.652 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.771 HG22 ' NZ ' ' A' ' 101' ' ' LYS . 90.2 mt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.608 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.54 ' O ' ' HG3' ' A' ' 5' ' ' LYS . 63.4 tpp . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.0 92.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.525 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 93.9 t80 -62.42 131.85 50.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.508 ' C ' ' HD3' ' A' ' 5' ' ' LYS . . . 90.19 -7.73 81.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -137.66 4.75 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.467 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 48.2 t -61.09 -44.69 96.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.546 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -62.29 -41.21 98.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.524 179.824 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.595 ' O ' ' N ' ' A' ' 10' ' ' SER . 89.9 m-85 -66.77 -36.78 83.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.173 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.576 ' OD1' ' O ' ' A' ' 8' ' ' TYR . 42.5 p-10 23.51 44.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.664 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.603 ' OG ' ' CD1' ' A' ' 11' ' ' TYR . 40.6 t -66.01 139.44 58.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.603 ' CD1' ' OG ' ' A' ' 10' ' ' SER . 94.6 m-85 55.87 31.71 18.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.786 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.578 ' NH1' ' O ' ' A' ' 14' ' ' ARG . 53.0 tpt85 -75.72 127.55 33.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' O ' ' O ' ' A' ' 14' ' ' ARG . 99.4 mttt -108.74 108.52 19.38 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.243 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.625 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 99.7 mtt180 34.52 -164.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.196 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.505 ' O ' ' NH2' ' A' ' 12' ' ' ARG . 75.1 m -63.31 -39.62 95.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.443 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.501 ' HD1' ' O ' ' A' ' 17' ' ' ASN . 55.4 p90 -151.04 160.53 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.313 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.505 ' ND2' ' HB2' ' A' ' 20' ' ' ASN . 44.9 p30 -81.4 168.66 18.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.814 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.534 ' CZ ' ' OD2' ' A' ' 50' ' ' ASP . 77.3 mtp85 -64.39 -40.92 96.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 94.9 p -160.25 163.94 33.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.709 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 19' ' ' SER . 55.7 t30 175.77 -7.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -60.38 -46.13 91.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 110.521 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.534 ' OE1' ' CD ' ' A' ' 25' ' ' GLU . 64.4 tt0 -150.73 127.65 11.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -61.79 -44.46 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.636 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -61.07 -43.81 98.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.991 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.534 ' CD ' ' OE1' ' A' ' 22' ' ' GLN . 98.3 mt-10 -62.19 -40.16 95.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.8 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.36 -49.23 78.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.496 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.81 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.648 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -62.38 -41.81 98.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.842 ' OE2' HD21 ' A' ' 89' ' ' LEU . 98.2 mt-10 -63.12 -40.32 97.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.4 -41.11 98.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.57 -41.1 98.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.566 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.448 ' NH2' ' HB ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -62.27 -43.47 98.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.36 179.815 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.23 -42.75 99.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.526 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.89 -39.5 92.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.764 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.1 -46.63 88.97 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.288 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.931 ' O ' HD13 ' A' ' 40' ' ' LEU . . . -62.69 -40.55 97.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.294 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.455 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 89.3 t80 -58.62 -46.86 86.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.307 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.51 -39.28 90.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.101 0.477 . . . . 0.0 110.116 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.816 ' OD1' HD13 ' A' ' 40' ' ' LEU . 31.2 p30 -96.36 13.4 27.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.642 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.931 HD13 ' O ' ' A' ' 36' ' ' ALA . 1.7 mp -109.87 84.35 1.91 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.533 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.459 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 99.1 m-20 -63.89 140.79 58.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.615 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 75.41 19.42 79.45 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.641 ' CZ3' ' NZ ' ' A' ' 54' ' ' LYS . 76.1 m95 -118.31 132.2 56.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.809 0.338 . . . . 0.0 110.685 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.624 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 72.8 m-85 -138.11 128.49 26.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.484 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.629 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -138.52 155.13 48.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.951 0.405 . . . . 0.0 111.233 179.639 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -120.3 131.69 55.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.302 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.8 t -61.29 -43.0 99.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.77 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.2 tpt -60.6 -44.33 96.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.957 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.8 mtmt -107.42 38.52 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.698 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.605 ' C ' ' O ' ' A' ' 49' ' ' LYS . 97.4 m-20 -4.54 73.12 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.639 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.608 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.4 t -151.26 141.98 22.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.148 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 62' ' ' ARG . . . -121.57 145.81 47.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.468 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.624 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.2 p90 -148.44 160.58 42.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.641 ' NZ ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -126.06 146.67 49.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.663 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.572 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 53.3 p-10 -114.47 108.46 16.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 99.0 m-85 -97.34 -6.75 33.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.157 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.6 74.67 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HD2' ' A' ' 79' ' ' ARG . 99.7 mttt -115.41 -28.42 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 1.126 ' CE2' HD21 ' A' ' 111' ' ' LEU . 52.4 p90 -157.97 161.03 38.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.996 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 89.0 tt0 -114.76 125.6 53.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.728 HG22 ' HB ' ' A' ' 82' ' ' VAL . 47.1 pt -130.81 137.9 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.451 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' A' ' 53' ' ' TYR . 20.1 ptp180 -140.12 157.13 46.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 111.08 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 86' ' ' ALA . 8.6 mp -112.45 133.2 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.254 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.717 ' HA ' ' HZ3' ' A' ' 71' ' ' LYS . 67.1 m -133.03 177.38 7.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.55 ' OD1' ' N ' ' A' ' 67' ' ' SER . 47.6 p30 -72.15 -169.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.458 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.46 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 32.4 p80 -56.36 -24.55 44.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.504 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.55 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 78.7 p -123.01 91.92 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.962 0.41 . . . . 0.0 110.248 179.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.558 ' HB1' ' CZ ' ' A' ' 72' ' ' TYR . . . -63.9 -39.78 94.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.939 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 72' ' ' TYR . 67.5 t0 -60.96 -43.87 98.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.416 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.625 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 99.1 m-20 -61.58 -42.69 99.22 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.896 -179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.717 ' HZ3' ' HA ' ' A' ' 64' ' ' SER . 63.0 mtpt -66.17 -40.24 90.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.962 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.611 ' HE2' ' HG ' ' A' ' 64' ' ' SER . 52.7 p90 -147.6 162.39 39.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.768 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -102.96 150.59 23.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.247 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -62.55 126.71 28.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.618 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.1 mt -115.69 144.75 43.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -79.05 71.73 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.938 0.399 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -64.09 -31.32 72.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.649 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.77 4.59 90.0 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.535 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 22.8 tpp85 -127.2 150.31 49.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.899 HD23 ' NH2' ' A' ' 115' ' ' ARG . 0.1 OUTLIER -54.97 128.48 33.71 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.319 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 80' ' ' LEU . 89.2 mt -119.28 130.99 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.431 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.985 ' CG2' HD11 ' A' ' 117' ' ' ILE . 59.9 t -114.28 122.6 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.647 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.557 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 72.8 m-80 -104.65 119.45 39.03 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.638 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.631 HG12 ' HB3' ' A' ' 119' ' ' ALA . 86.4 mt -123.35 128.11 74.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.807 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 64' ' ' SER . 99.3 mttt -76.75 136.15 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.706 -0.398 . . . . 0.0 109.967 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.683 ' CB ' HG21 ' A' ' 94' ' ' ILE . . . -153.78 159.44 41.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.046 0.451 . . . . 0.0 111.125 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.7 t -119.47 147.93 43.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.982 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.529 ' HE3' ' NH2' ' A' ' 18' ' ' ARG . 98.2 mttt -60.71 -40.46 92.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.64 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.842 HD21 ' OE2' ' A' ' 29' ' ' GLU . 7.6 mp -63.87 -39.94 95.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 110.417 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -110.23 23.8 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.583 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.649 ' O ' HG22 ' A' ' 94' ' ' ILE . 93.3 t80 -58.4 -48.52 80.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.74 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 95' ' ' ILE . 58.3 t -62.33 -43.59 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 110.274 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -62.52 -43.65 98.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.681 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.902 HD11 ' HZ1' ' A' ' 98' ' ' LYS . 6.3 tp -64.36 -36.42 77.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.105 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 43.9 pt -73.19 -25.96 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.504 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -64.05 -43.72 94.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.636 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -88.5 -45.73 9.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.431 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.902 ' HZ1' HD11 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -64.48 -40.82 96.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.38 -179.313 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.584 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 8.5 tt -68.24 -40.91 81.86 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.654 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.3 -41.54 96.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.608 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.644 ' NZ ' ' HB2' ' A' ' 119' ' ' ALA . 39.5 pttt -61.93 -32.39 72.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.024 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.591 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 99.1 mt -68.48 -44.42 83.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.098 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 103' ' ' ILE . 34.9 mm -62.11 -47.61 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.37 -44.93 93.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.623 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.598 ' HD3' ' CE1' ' A' ' 114' ' ' TYR . 41.2 ttmt -62.03 -45.16 94.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.403 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.585 HD11 HD23 ' A' ' 111' ' ' LEU . 79.6 mt -62.02 -42.61 95.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.555 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.05 -38.54 83.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.688 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -94.1 -27.69 16.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.164 0.507 . . . . 0.0 109.993 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.905 HD11 ' HG3' ' A' ' 113' ' ' LYS . 24.8 tp -154.88 129.06 8.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.003 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.55 141.08 57.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.632 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 1.126 HD21 ' CE2' ' A' ' 59' ' ' TYR . 3.0 pp -77.08 -16.27 59.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.35 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.493 ' OD1' ' HB3' ' A' ' 59' ' ' TYR . 97.9 m-20 -70.17 -15.3 62.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.273 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.905 ' HG3' HD11 ' A' ' 109' ' ' LEU . 75.1 mmtt -65.13 -38.44 90.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.173 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.867 ' O ' HD21 ' A' ' 80' ' ' LEU . 4.6 m-85 -79.01 118.09 20.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.254 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.899 ' NH2' HD23 ' A' ' 80' ' ' LEU . 6.6 mmp_? -63.27 -39.91 95.93 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.382 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -146.24 120.65 9.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.856 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.985 HD11 ' CG2' ' A' ' 82' ' ' VAL . 38.3 pt -130.92 148.42 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.297 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.557 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 50.7 t30 -149.26 116.21 5.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.872 ' CA ' HD13 ' A' ' 126' ' ' ILE . . . -99.06 125.67 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.187 0.517 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.595 ' OG1' ' CB ' ' A' ' 124' ' ' HIS . 72.1 p -82.66 162.91 21.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.701 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.547 ' O ' ' O ' ' A' ' 120' ' ' THR . 99.2 m-20 -42.21 174.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.709 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.418 ' HG ' ' CD1' ' A' ' 94' ' ' ILE . 87.8 mt -61.03 -40.32 93.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.2 -34.79 78.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.1 0.476 . . . . 0.0 109.941 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.595 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 79.7 m80 -85.14 164.99 17.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.224 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.53 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.9 m-20 -97.65 158.64 15.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 111.006 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.897 ' O ' HG23 ' A' ' 139' ' ' VAL . 0.2 OUTLIER -108.96 130.02 62.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.947 -179.412 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.747 ' N ' HD12 ' A' ' 126' ' ' ILE . 10.0 mptt -120.46 151.61 39.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.353 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.705 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 51.4 t -131.96 129.25 39.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.622 ' CE2' ' HD3' ' A' ' 137' ' ' LYS . 97.5 m-85 -107.91 130.5 55.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.845 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -59.3 -50.27 74.65 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.399 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.585 ' NZ ' ' HD3' ' A' ' 134' ' ' LYS . 3.1 pttm -119.46 19.1 12.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.131 0.491 . . . . 0.0 109.796 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.486 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.96 -13.43 67.68 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.016 -1.233 . . . . 0.0 110.016 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 87.9 t80 -162.54 116.9 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.585 ' HD3' ' NZ ' ' A' ' 131' ' ' LYS . 35.1 ttpt 176.28 164.05 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.884 0.374 . . . . 0.0 110.855 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 10.9 t -68.5 -23.97 64.62 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.796 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.545 ' HB3' ' CE ' ' A' ' 134' ' ' LYS . 23.9 tptm -90.45 115.38 27.57 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.996 0.427 . . . . 0.0 110.578 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.622 ' HD3' ' CE2' ' A' ' 129' ' ' TYR . 56.0 mtmt -142.71 154.75 44.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.486 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.538 ' OE1' ' OH ' ' A' ' 114' ' ' TYR . 99.3 mt-10 -115.24 142.05 47.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.319 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.974 ' O ' HD13 ' A' ' 140' ' ' ILE . 11.1 p -130.86 140.75 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.973 0.416 . . . . 0.0 110.687 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.974 HD13 ' O ' ' A' ' 139' ' ' VAL . 25.6 mm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.518 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.509 ' HG3' ' HB2' ' A' ' 3' ' ' TYR . 25.4 ptp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 1.099 ' HB1' ' OD1' ' A' ' 9' ' ' ASN . . . 64.92 9.49 5.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.728 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.509 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 89.1 t80 -60.67 -48.16 83.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.091 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.28 42.35 0.98 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.185 -0.531 . . . . 0.0 111.959 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 51.35 55.03 10.08 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.908 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.534 ' OG ' ' HA ' ' A' ' 9' ' ' ASN . 83.1 p -67.22 162.1 23.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.821 0.343 . . . . 0.0 110.25 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.515 ' HB3' ' HD3' ' A' ' 12' ' ' ARG . 2.6 mpp_? -43.62 89.69 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.161 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' A' ' 6' ' ' SER . 94.0 m-85 50.3 23.43 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.941 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 1.099 ' OD1' ' HB1' ' A' ' 2' ' ' ALA . 79.4 m-20 44.28 -132.65 0.74 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.398 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 t 41.17 -142.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -105.73 9.21 33.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.515 ' HD3' ' HB3' ' A' ' 7' ' ' ARG . 4.6 mmm-85 69.77 32.94 3.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HE2' ' NE ' ' A' ' 14' ' ' ARG . 22.3 ptmt -153.93 156.33 37.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.35 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.542 ' NE ' ' HE2' ' A' ' 13' ' ' LYS . 89.9 mtm180 50.2 44.78 26.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.389 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.2 m -61.85 -40.32 94.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.18 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 14' ' ' ARG . 69.3 m-85 55.15 49.22 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.588 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -61.16 141.0 57.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.535 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' A' ' 21' ' ' LYS . 99.8 mtt180 -130.28 149.15 52.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.524 ' OG ' ' OH ' ' A' ' 26' ' ' TYR . 90.5 p -62.48 -35.87 80.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.684 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.529 ' HB2' ' OH ' ' A' ' 26' ' ' TYR . 57.8 t30 -117.72 -75.52 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.509 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.579 ' HG3' ' N ' ' A' ' 22' ' ' GLN . 26.4 pttm -172.93 -47.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.654 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.579 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 98.5 mt-30 -134.33 144.73 48.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -67.05 -20.54 65.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.355 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HD3' ' C ' ' A' ' 24' ' ' ARG . 4.7 tmt_? -60.48 -42.25 95.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.822 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 54.5 tp10 -60.28 -44.11 95.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.573 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.529 ' OH ' ' HB2' ' A' ' 20' ' ' ASN . 80.4 m-85 -69.57 -39.77 77.16 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.653 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.85 97.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.13 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 5.2 pp0? -73.6 -25.45 60.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.471 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.524 ' OE2' ' HA ' ' A' ' 89' ' ' LEU . 54.0 tp10 -62.06 -42.91 99.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.562 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.1 mmm -62.96 -40.48 97.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.92 -40.71 96.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.423 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HD3' ' C ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -61.61 -44.36 97.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.421 179.677 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 91' ' ' PHE . 62.6 tp -61.56 -44.65 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.637 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.86 -39.42 94.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -60.63 -43.94 96.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.619 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.18 -40.03 92.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.986 ' CE1' HD21 ' A' ' 45' ' ' LEU . 41.5 m-85 -65.94 -35.26 80.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.044 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.582 ' OE1' ' OD1' ' A' ' 39' ' ' ASN . 16.7 tm-20 -59.86 -39.44 85.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.13 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.582 ' OD1' ' OE1' ' A' ' 38' ' ' GLU . 98.0 m-20 -97.88 8.68 44.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -104.88 82.78 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.795 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.05 141.61 58.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.448 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.564 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 92.06 -4.59 78.11 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.581 -0.607 . . . . 0.0 111.581 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.597 ' CD2' ' HB2' ' A' ' 54' ' ' LYS . 95.0 m95 -116.71 138.4 51.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 110.358 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 65.9 m-85 -135.62 147.76 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.715 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.986 HD21 ' CE1' ' A' ' 37' ' ' PHE . 2.7 mp -120.07 143.88 47.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.75 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.565 ' OG ' ' HG3' ' A' ' 49' ' ' LYS . 88.3 p -120.69 140.18 51.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.951 0.405 . . . . 0.0 110.625 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -68.1 -38.96 82.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.673 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 tpt -59.11 -46.21 88.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.105 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.752 ' HE2' ' CE1' ' A' ' 73' ' ' HIS . 7.2 ptpp? -121.06 54.42 1.09 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.204 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.602 ' C ' ' O ' ' A' ' 49' ' ' LYS . 59.1 p30 -15.74 82.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.611 ' N ' ' O ' ' A' ' 49' ' ' LYS . 97.0 p -155.57 164.19 38.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.561 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.686 ' HB1' ' CE2' ' A' ' 37' ' ' PHE . . . -126.06 141.88 51.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB3' ' CB ' ' A' ' 62' ' ' ARG . 52.2 p90 -151.67 160.84 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.022 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.606 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 34.3 ttpt -133.23 136.36 45.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.784 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -98.6 129.8 45.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.037 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.606 ' CZ ' ' HE3' ' A' ' 54' ' ' LYS . 97.7 m-85 -101.48 -4.34 26.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.12 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.9 -10.76 72.77 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 57.8 mtmt -115.54 -32.3 5.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.952 0.406 . . . . 0.0 110.538 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.688 ' CG ' HD12 ' A' ' 111' ' ' LEU . 53.8 p90 -154.91 161.53 41.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.422 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 1.017 ' O ' HD12 ' A' ' 81' ' ' ILE . 88.9 tt0 -113.99 129.33 56.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.942 0.401 . . . . 0.0 110.963 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.559 HG23 ' CD1' ' A' ' 59' ' ' TYR . 48.1 pt -127.8 138.45 54.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.01 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.588 ' NH2' ' O ' ' A' ' 71' ' ' LYS . 51.6 ptt85 -138.81 158.95 43.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.017 0.437 . . . . 0.0 111.158 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.712 HD11 ' CD1' ' A' ' 95' ' ' ILE . 84.1 mt -109.15 144.58 37.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.192 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 91.2 p -147.29 164.09 34.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -56.85 169.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.791 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.49 ' O ' ' HD3' ' A' ' 85' ' ' LYS . 3.5 m-70 -61.27 -38.59 87.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.739 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.5 p -68.15 156.07 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.159 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' HA ' ' HB2' ' A' ' 71' ' ' LYS . . . -85.11 14.31 5.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.082 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.5 -44.58 93.07 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.603 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.408 ' HB2' ' HB2' ' A' ' 64' ' ' SER . 34.4 m120 -97.17 -0.99 45.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.742 0.306 . . . . 0.0 110.801 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.588 ' O ' ' NH2' ' A' ' 62' ' ' ARG . 41.2 ttmt -61.76 -43.39 98.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.906 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -76.84 143.37 39.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.787 ' CD2' ' O ' ' A' ' 75' ' ' LEU . 1.2 t60 -118.17 120.33 37.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.136 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.598 ' OD1' ' N ' ' A' ' 75' ' ' LEU . 53.8 p-10 -62.66 -33.24 74.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.173 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.787 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 87.6 mt -114.85 144.67 43.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.804 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -99.57 134.6 42.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.426 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 60' ' ' GLU . 58.8 t30 -82.0 -12.02 58.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.803 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.9 2.7 90.63 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 58' ' ' LYS . 56.9 mmm-85 -129.55 155.38 45.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.297 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.89 HD11 ' CA ' ' A' ' 115' ' ' ARG . 3.8 mm? -56.36 141.12 43.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.263 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.017 HD12 ' O ' ' A' ' 60' ' ' GLU . 11.1 tp -131.18 141.92 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.014 HG13 HG22 ' A' ' 117' ' ' ILE . 95.9 t -117.46 125.15 73.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.226 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.517 ' OD1' ' CZ ' ' A' ' 62' ' ' ARG . 73.5 m-20 -101.71 126.01 48.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.647 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.059 HD13 ' HG2' ' A' ' 98' ' ' LYS . 84.5 mt -121.95 126.8 74.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 66' ' ' HIS . 64.3 mttp -85.25 131.35 34.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.633 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.829 ' HB2' HD13 ' A' ' 94' ' ' ILE . . . -157.95 140.26 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.5 p -74.28 159.73 32.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.355 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 63.1 mttp -63.65 -40.73 97.59 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.689 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.544 HD23 ' C ' ' A' ' 89' ' ' LEU . 9.6 tt -63.12 -44.56 95.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.75 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -104.87 16.86 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.512 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.641 ' CZ ' HD12 ' A' ' 63' ' ' LEU . 90.1 t80 -58.96 -49.3 78.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.496 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.806 ' O ' HG22 ' A' ' 95' ' ' ILE . 34.0 m -73.34 -35.56 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.743 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.81 -40.0 93.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.654 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.829 HD13 ' HB2' ' A' ' 86' ' ' ALA . 6.1 tt -65.94 -28.78 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.108 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.806 HG22 ' O ' ' A' ' 92' ' ' VAL . 5.3 tp -57.3 -39.76 69.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.476 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 95' ' ' ILE . 88.9 tt0 -63.29 -49.41 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.606 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.633 ' HB2' HD21 ' A' ' 122' ' ' LEU . 8.9 m120 -70.81 -39.3 73.14 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.88 0.371 . . . . 0.0 111.555 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 1.059 ' HG2' HD13 ' A' ' 84' ' ' ILE . 0.7 OUTLIER -67.25 -36.25 81.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.088 -179.179 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 95' ' ' ILE . 3.5 mp -57.17 -43.76 82.9 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.224 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.27 -38.36 90.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.205 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 35.2 mmtp -64.91 -39.35 93.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.439 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 99' ' ' LEU . 45.5 pt -77.17 -36.33 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.103 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 99' ' ' LEU . 87.5 mt -62.18 -45.7 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.585 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 88.8 tt0 -63.27 -42.4 99.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.112 0.482 . . . . 0.0 110.045 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.706 ' HD3' HD13 ' A' ' 140' ' ' ILE . 58.3 mtmt -63.87 -40.26 96.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.67 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -73.33 -44.1 55.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.931 -179.283 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.585 ' OD1' ' O ' ' A' ' 104' ' ' GLU . 56.6 p30 -77.88 -4.32 46.13 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.632 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.54 ' HG2' ' OD1' ' A' ' 107' ' ' ASP . 31.7 mmmt -113.17 -32.28 6.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.189 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.985 ' O ' HD12 ' A' ' 109' ' ' LEU . 2.4 pp -157.13 132.5 9.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.7 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.09 146.01 51.23 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.38 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.688 HD12 ' CG ' ' A' ' 59' ' ' TYR . 96.5 mt -79.3 -13.05 59.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.031 0.443 . . . . 0.0 110.265 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.22 -37.83 81.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.364 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -64.33 -39.3 93.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.511 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.841 ' HE1' HD13 ' A' ' 109' ' ' LEU . 93.6 m-85 -78.9 149.99 32.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.586 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.89 ' CA ' HD11 ' A' ' 80' ' ' LEU . 41.6 mmt180 -104.56 -29.34 10.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.239 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.597 ' C ' HD12 ' A' ' 117' ' ' ILE . 90.5 t80 -147.63 127.99 13.95 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.242 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 1.014 HG22 HG13 ' A' ' 82' ' ' VAL . 1.4 mp -126.4 138.37 54.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.049 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 67.0 t30 -137.59 111.3 8.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.46 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.887 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -101.13 132.77 46.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.662 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.612 ' CG2' ' CB ' ' A' ' 124' ' ' HIS . 14.8 m -97.32 162.52 13.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.115 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.609 ' O ' ' O ' ' A' ' 120' ' ' THR . 55.4 t30 -37.95 173.57 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.227 0.537 . . . . 0.0 111.674 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 97' ' ' ASN . 86.6 mt -60.26 -39.52 87.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.437 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.12 -33.84 76.97 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CB ' ' CG2' ' A' ' 120' ' ' THR . 80.2 m80 -89.68 165.12 14.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.712 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -98.18 171.02 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.74 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.861 ' C ' HD13 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -107.97 137.04 41.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.002 -179.556 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.775 ' HG2' HG22 ' A' ' 139' ' ' VAL . 98.5 mttt -125.77 150.66 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.752 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.597 ' SG ' ' HB3' ' A' ' 138' ' ' GLU . 30.3 p -135.91 156.09 49.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.445 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.7 m-85 -118.18 133.22 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.028 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.494 ' HD2' ' HG3' ' A' ' 131' ' ' LYS . 77.4 t80 -60.05 -49.14 78.85 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.704 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.529 ' HD2' ' CE ' ' A' ' 134' ' ' LYS . 99.0 mttt -105.07 7.27 33.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 110.096 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.541 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 94.82 -15.61 63.0 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.541 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.0 t80 -160.92 115.47 2.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 23.4 ttmm 173.41 164.97 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.543 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.533 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 96.2 m -66.45 -40.98 89.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.081 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -69.0 121.37 16.49 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.015 0.436 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 19.5 ptpt -151.34 158.96 44.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.412 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.737 ' OE1' HD22 ' A' ' 109' ' ' LEU . 88.8 tt0 -117.76 126.87 53.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.898 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.775 HG22 ' HG2' ' A' ' 127' ' ' LYS . 88.5 t -119.83 127.84 75.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.81 ' CD1' HD12 ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.627 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 28.5 ptm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.86 145.9 55.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.568 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.627 ' CE1' ' O ' ' A' ' 1' ' ' MET . 97.3 m-85 -125.25 141.21 52.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.318 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.46 169.99 54.59 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.348 -1.101 . . . . 0.0 110.348 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 61.32 34.16 18.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.732 0.301 . . . . 0.0 110.371 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -118.59 -110.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.404 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -60.96 -41.63 96.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.108 0.48 . . . . 0.0 109.776 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.599 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 53.1 p90 -139.37 121.52 15.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.333 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.549 ' ND2' ' HB3' ' A' ' 11' ' ' TYR . 54.1 p30 -84.38 179.35 7.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.538 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 68.7 m -89.22 -5.48 57.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.288 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' HB3' ' ND2' ' A' ' 9' ' ' ASN . 92.9 t80 -60.09 -47.69 84.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.815 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 29.3 mmt85 -61.69 -39.58 91.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.74 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 10' ' ' SER . 31.0 mtpp 59.6 -97.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.702 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 99.8 mtt180 60.37 36.06 20.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.623 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.4 p -65.99 -22.15 66.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.546 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.584 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 90.9 m-85 -76.41 144.49 39.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.73 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.619 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 53.4 p30 -91.95 8.58 36.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.584 ' NH1' ' O ' ' A' ' 16' ' ' PHE . 1.6 mpp_? 58.3 42.53 21.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.964 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.1 t -99.73 111.3 23.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.879 0.371 . . . . 0.0 110.467 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -63.72 -39.52 94.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.322 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' CG ' ' OE1' ' A' ' 25' ' ' GLU . 2.1 mptp? -98.77 150.62 21.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.087 0.47 . . . . 0.0 111.317 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -81.02 163.53 23.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.701 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.619 ' NH2' ' ND2' ' A' ' 17' ' ' ASN . 12.6 mpt_? -62.72 -20.14 64.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.566 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -59.14 -43.41 92.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.523 ' OE1' ' CG ' ' A' ' 21' ' ' LYS . 88.8 tt0 -61.26 -42.23 98.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.412 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -64.73 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.56 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.18 91.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.575 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -62.98 -39.88 96.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.403 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 88' ' ' LYS . 54.5 tp10 -62.03 -42.18 98.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.541 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -62.41 -40.33 96.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.74 -40.13 94.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.368 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.36 -43.78 98.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.533 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.63 -39.85 95.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.29 -40.62 96.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.387 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.29 -44.44 97.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.082 0.467 . . . . 0.0 109.83 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.71 -38.07 86.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.279 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.727 ' HB2' HD12 ' A' ' 45' ' ' LEU . 93.7 t80 -58.22 -47.28 84.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.357 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' OE1' ' OD1' ' A' ' 39' ' ' ASN . 16.7 tm-20 -59.55 -40.36 86.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.919 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.442 ' OD1' ' OE1' ' A' ' 38' ' ' GLU . 75.1 m-80 -99.17 12.58 35.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.98 0.419 . . . . 0.0 110.31 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.767 HD22 ' CB ' ' A' ' 43' ' ' TRP . 1.2 mt -94.08 77.08 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.414 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -67.57 129.05 38.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.538 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 83.08 2.3 90.58 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.767 ' CB ' HD22 ' A' ' 40' ' ' LEU . 93.4 m95 -119.15 144.16 46.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.659 0.266 . . . . 0.0 110.713 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 80.2 m-85 -131.99 143.74 50.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.646 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 52' ' ' ALA . 92.0 mt -115.03 135.28 54.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.648 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 40.4 t -120.51 128.28 52.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.138 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.46 ' HA ' ' OD1' ' A' ' 50' ' ' ASP . 48.0 t -63.45 -45.15 92.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.3 tpt -61.09 -44.36 97.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.358 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.624 ' O ' ' N ' ' A' ' 51' ' ' SER . 75.5 mmtt -112.66 38.7 2.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.378 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' LYS . 97.4 m-20 -13.56 79.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.628 0.58 . . . . 0.0 111.078 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.7 t -156.71 147.51 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.062 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.85 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -113.29 140.04 48.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.712 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.589 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 53.7 p90 -148.44 159.04 44.43 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.322 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.64 ' CD ' ' CZ ' ' A' ' 56' ' ' PHE . 41.1 ttmt -117.0 126.65 53.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.894 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -101.29 104.8 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.737 ' CD1' ' CZ ' ' A' ' 59' ' ' TYR . 70.9 m-85 -86.83 -10.98 52.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 109.952 178.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.94 -9.58 77.4 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm -112.68 -30.56 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.277 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.901 ' CG ' HD22 ' A' ' 111' ' ' LEU . 55.1 p90 -153.99 161.67 41.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -117.42 129.08 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.14 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 48.2 pt -126.08 136.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.6 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.91 ' NH1' ' HB1' ' A' ' 68' ' ' ALA . 8.9 ptm180 -140.81 155.64 46.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.535 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.865 HD13 ' CG2' ' A' ' 94' ' ' ILE . 89.1 mt -112.96 127.6 56.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.129 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.538 ' O ' ' O ' ' A' ' 65' ' ' ASN . 70.4 m -137.51 160.03 40.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.543 ' H ' ' NZ ' ' A' ' 71' ' ' LYS . 51.7 t30 -55.84 -145.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.738 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.457 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 52.1 p-80 -59.95 -24.72 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 91.7 p -134.14 149.57 51.07 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.479 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.91 ' HB1' ' NH1' ' A' ' 62' ' ' ARG . . . -114.54 -33.92 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.44 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.04 -39.58 92.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.016 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -60.32 -46.77 88.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.713 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.55 ' O ' ' HD2' ' A' ' 49' ' ' LYS . 98.1 mttt -64.21 -40.54 96.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 110.661 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' A' ' 73' ' ' HIS . 90.2 t80 -146.47 134.96 22.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.803 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.612 ' O ' ' CD2' ' A' ' 72' ' ' TYR . 54.5 p-80 -67.84 165.11 18.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.225 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -88.24 102.09 14.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.787 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.563 ' HB2' ' NE2' ' A' ' 73' ' ' HIS . 66.1 tp -118.66 123.73 45.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.38 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 76' ' ' GLU . 24.8 pt-20 -67.16 124.92 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.345 . . . . 0.0 110.582 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.473 ' OD1' ' NH2' ' A' ' 79' ' ' ARG . 2.4 t-20 -100.96 10.58 40.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.67 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.55 2.44 90.62 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.473 ' NH2' ' OD1' ' A' ' 77' ' ' ASN . 96.0 mtm-85 -132.61 159.37 39.73 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.819 HD11 ' HA ' ' A' ' 115' ' ' ARG . 3.6 mm? -56.04 141.37 40.33 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.34 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.6 mt -116.44 128.06 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.083 HG22 ' HB ' ' A' ' 117' ' ' ILE . 66.9 t -117.54 124.39 72.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.298 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -101.75 123.13 45.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.167 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.853 HD13 ' HG2' ' A' ' 98' ' ' LYS . 86.0 mt -118.86 127.48 75.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.036 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.569 ' HE3' ' N ' ' A' ' 68' ' ' ALA . 49.4 mmtm -102.74 130.61 49.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.469 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.565 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -157.13 153.94 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.45 ' HB2' ' HB2' ' A' ' 90' ' ' ASN . 69.2 m -69.76 150.78 46.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.271 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 68.5 mttm -61.57 -39.72 92.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.53 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.771 HD12 ' OD1' ' A' ' 90' ' ' ASN . 3.0 pp -75.41 -20.16 59.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.335 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.771 ' OD1' HD12 ' A' ' 89' ' ' LEU . 98.5 m-20 -100.36 11.87 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.494 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.641 ' O ' HG22 ' A' ' 94' ' ' ILE . 90.1 t80 -58.97 -48.67 80.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 1.104 ' O ' HG22 ' A' ' 95' ' ' ILE . 56.7 t -62.17 -45.62 98.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.946 0.403 . . . . 0.0 110.647 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -62.14 -44.4 96.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.865 ' CG2' HD13 ' A' ' 63' ' ' LEU . 5.8 tp -67.11 -29.71 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.108 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 1.104 HG22 ' O ' ' A' ' 92' ' ' VAL . 9.3 tp -61.96 -30.53 48.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.288 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -88.31 -53.94 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.889 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.584 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 30.2 m120 -65.66 -42.64 91.15 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.554 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.853 ' HG2' HD13 ' A' ' 84' ' ' ILE . 17.4 tppt? -65.39 -43.4 90.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.728 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.842 HD13 ' O ' ' A' ' 95' ' ' ILE . 8.2 mp -61.12 -41.5 96.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.181 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.46 -39.62 93.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.335 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.7 mmtp -63.29 -39.13 93.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.12 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.581 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.39 -41.61 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.708 -179.275 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.868 ' O ' HG22 ' A' ' 106' ' ' ILE . 91.4 mt -61.68 -45.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.54 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -62.47 -45.64 92.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.383 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 102' ' ' ILE . 22.4 ptmt -65.77 -33.35 75.66 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.505 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.868 HG22 ' O ' ' A' ' 103' ' ' ILE . 10.7 tt -70.18 -28.44 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.551 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.47 -39.6 93.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -89.35 -14.6 35.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.259 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.827 HD22 ' OH ' ' A' ' 114' ' ' TYR . 1.9 pp -157.0 164.23 38.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.459 ' N ' HD12 ' A' ' 109' ' ' LEU . 68.4 m-20 -104.38 139.81 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.722 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.901 HD22 ' CG ' ' A' ' 59' ' ' TYR . 10.6 mp -64.48 -24.59 67.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.342 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -58.75 -37.95 77.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.469 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -63.65 -39.24 93.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.124 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.827 ' OH ' HD22 ' A' ' 109' ' ' LEU . 22.3 m-30 -77.34 139.08 39.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.246 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.819 ' HA ' HD11 ' A' ' 80' ' ' LEU . 69.6 mtp85 -95.7 -37.69 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.527 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CD1' ' HA3' ' A' ' 132' ' ' GLY . 96.0 m-85 -129.84 128.55 42.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.962 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 1.083 ' HB ' HG22 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -135.5 133.85 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.493 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.582 ' O ' HD12 ' A' ' 126' ' ' ILE . 55.4 t-20 -148.12 111.71 5.02 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.216 -178.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.899 ' HA ' HD13 ' A' ' 126' ' ' ILE . . . -82.82 150.44 26.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.778 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.581 ' OG1' ' CB ' ' A' ' 124' ' ' HIS . 53.0 p -118.86 161.86 19.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.884 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 124' ' ' HIS . 63.2 t30 -38.5 150.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.333 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.22 -35.88 5.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.4 -34.46 78.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.119 0.485 . . . . 0.0 109.728 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.581 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 51.8 m80 -87.24 164.12 16.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.755 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.545 ' O ' ' OG1' ' A' ' 120' ' ' THR . 54.3 p30 -97.06 173.97 6.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.899 HD13 ' HA ' ' A' ' 119' ' ' ALA . 2.5 tp -107.1 137.42 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.135 0.493 . . . . 0.0 110.453 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.566 ' H ' HD12 ' A' ' 126' ' ' ILE . 98.5 mttt -119.42 136.06 54.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.608 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.706 ' SG ' ' CG ' ' A' ' 114' ' ' TYR . 52.6 t -135.8 131.29 35.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.787 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.467 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -108.01 131.82 54.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.127 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.801 ' HD2' ' HZ3' ' A' ' 134' ' ' LYS . 86.3 t80 -60.23 -48.68 80.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.803 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.604 ' HB3' ' HZ2' ' A' ' 134' ' ' LYS . 64.6 tttp -105.93 -3.64 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.572 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.574 ' HA3' ' CD1' ' A' ' 116' ' ' PHE . . . 100.68 -17.0 57.16 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.632 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 55.6 p90 -161.63 116.16 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.801 ' HZ3' ' HD2' ' A' ' 130' ' ' TYR . 0.1 OUTLIER 170.75 166.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.833 -179.177 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.6 t -68.76 -20.32 64.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.557 ' O ' ' HD3' ' A' ' 134' ' ' LYS . 64.2 tttm -92.31 118.45 30.92 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.117 0.484 . . . . 0.0 110.957 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -150.64 159.01 44.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.346 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.521 ' HG3' ' OH ' ' A' ' 114' ' ' TYR . 79.3 mm-40 -115.65 141.1 48.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.517 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.9 p -138.77 142.72 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.592 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 105' ' ' LYS . 87.4 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.56 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.463 ' O ' ' HD2' ' A' ' 5' ' ' LYS . 63.4 tpp . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.82 92.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -62.12 131.69 50.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.721 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.79 -9.73 76.88 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HD2' ' O ' ' A' ' 1' ' ' MET . 64.4 mttp -107.14 -22.72 12.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.923 0.392 . . . . 0.0 110.52 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.404 ' HB2' ' OD1' ' A' ' 9' ' ' ASN . 49.9 m 51.39 40.81 27.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.509 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 30.5 mmm180 56.1 47.59 19.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.354 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.525 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 94.2 m-85 71.59 98.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.299 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.404 ' OD1' ' HB2' ' A' ' 6' ' ' SER . 73.9 m-80 -58.97 137.88 57.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.639 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.454 ' OG ' ' CD1' ' A' ' 11' ' ' TYR . 95.5 p -65.1 -23.4 67.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.88 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' CD1' ' OG ' ' A' ' 10' ' ' SER . 98.3 m-85 -114.77 135.34 54.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.926 0.394 . . . . 0.0 110.969 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -159.96 166.29 30.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.149 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.04 130.24 45.66 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.116 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.469 ' HE ' ' HB3' ' A' ' 16' ' ' PHE . 32.2 tpt180 -101.16 119.43 38.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.854 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t -62.56 -44.55 96.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CZ ' ' OG ' ' A' ' 19' ' ' SER . 90.9 t80 -69.39 127.44 33.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.742 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.49 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 50.8 p30 175.46 20.09 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -123.05 40.53 3.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.989 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.57 ' OG ' ' CZ ' ' A' ' 16' ' ' PHE . 69.7 m -62.45 141.47 58.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.572 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -126.36 149.55 49.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.764 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 98.3 mttt 59.74 -145.79 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.607 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.499 ' O ' ' HD1' ' A' ' 26' ' ' TYR . 88.9 mt-30 -130.0 149.33 51.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.645 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -60.66 -41.62 95.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.775 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.518 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 8.2 tmm_? -59.78 -40.66 88.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.36 -43.42 96.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.515 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.499 ' HD1' ' O ' ' A' ' 22' ' ' GLN . 82.1 m-85 -65.33 -38.69 90.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.493 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.46 94.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.679 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.21 -40.14 96.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.372 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.561 ' OE2' ' O ' ' A' ' 88' ' ' LYS . 54.1 tp10 -62.26 -42.25 99.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 ttp -60.7 -45.19 95.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.49 -40.14 93.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.384 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -61.28 -43.71 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.395 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.55 -43.77 98.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.467 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.4 -42.18 98.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.478 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.15 -39.72 93.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.307 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.663 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.57 -39.34 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.318 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' HB2' HD11 ' A' ' 45' ' ' LEU . 82.3 t80 -58.64 -47.3 84.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.33 -39.84 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.565 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -90.93 12.57 19.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.654 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.932 HD12 ' CD1' ' A' ' 43' ' ' TRP . 1.1 mm? -119.0 80.29 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.566 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 58.7 p30 -67.54 141.6 56.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.376 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.548 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 81.53 6.68 88.99 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.932 ' CD1' HD12 ' A' ' 40' ' ' LEU . 92.8 m95 -116.79 143.2 45.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 110.653 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.522 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 68.4 m-85 -130.35 146.85 51.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.844 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.837 HD21 ' HB2' ' A' ' 52' ' ' ALA . 90.5 mt -114.49 141.39 47.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.532 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.7 p -120.07 133.55 55.49 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.247 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.5 p -68.57 -34.96 76.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.376 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.463 ' HA ' ' HE2' ' A' ' 48' ' ' MET . 39.0 mmt -61.94 -41.01 97.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.001 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.9 mtmt -130.27 38.66 3.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.792 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.8 m-20 1.86 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.609 0.568 . . . . 0.0 111.476 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.633 ' N ' ' O ' ' A' ' 49' ' ' LYS . 71.0 m -130.77 150.16 52.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.897 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.837 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -112.82 135.52 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.162 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.591 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 52.6 p90 -147.79 158.16 43.89 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.657 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.609 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 35.4 ttpt -134.39 137.02 43.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.141 0.496 . . . . 0.0 111.082 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.566 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 58.8 p30 -95.41 140.85 29.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.837 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.605 ' CZ ' ' HE3' ' A' ' 54' ' ' LYS . 98.0 m-85 -112.66 -7.98 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.263 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.499 ' C ' HH12 ' A' ' 79' ' ' ARG . . . 90.52 -11.46 71.39 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HB3' ' OD2' ' A' ' 112' ' ' ASP . 30.7 mtpp -115.62 -30.7 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.006 0.431 . . . . 0.0 110.458 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 1.09 ' CE2' HD21 ' A' ' 111' ' ' LEU . 54.1 p90 -154.81 161.44 41.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.501 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.514 ' HB2' ' HD2' ' A' ' 79' ' ' ARG . 89.0 tt0 -116.11 127.97 55.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.806 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.813 HG22 ' HB ' ' A' ' 82' ' ' VAL . 48.4 pt -127.23 137.52 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.034 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.696 ' C ' HD12 ' A' ' 63' ' ' LEU . 9.1 ptm180 -139.8 155.83 47.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.019 0.438 . . . . 0.0 111.087 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.097 HD11 HD12 ' A' ' 84' ' ' ILE . 7.0 mp -118.17 125.49 50.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.942 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 65' ' ' ASN . 63.0 m -128.37 153.71 46.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.767 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 51.1 m-80 -56.22 -158.82 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.461 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -61.78 -39.49 91.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.353 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.0 p -86.77 93.91 9.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.596 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.827 ' HB3' ' HE3' ' A' ' 85' ' ' LYS . . . -105.57 19.26 20.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.115 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.507 ' O ' ' HD2' ' A' ' 72' ' ' TYR . 98.5 m-20 -61.29 -37.6 83.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.448 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.455 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . 98.9 m-20 -81.83 1.72 33.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.257 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.629 ' O ' ' CE1' ' A' ' 73' ' ' HIS . 25.9 pttm -59.65 -20.5 56.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.718 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.507 ' HD2' ' O ' ' A' ' 69' ' ' ASP . 29.5 p90 -65.94 150.14 49.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.009 0.433 . . . . 0.0 110.937 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.629 ' CE1' ' O ' ' A' ' 71' ' ' LYS . 79.2 m80 -137.0 151.76 49.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.175 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.584 ' O ' ' O ' ' A' ' 75' ' ' LEU . 50.1 p30 -81.39 178.43 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.419 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 76' ' ' GLU . 0.3 OUTLIER 53.89 143.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.516 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.665 ' N ' HD12 ' A' ' 75' ' ' LEU . 24.8 pt-20 -71.37 122.42 20.3 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.311 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.465 ' OD1' ' CG ' ' A' ' 79' ' ' ARG . 1.8 t-20 -67.12 -32.38 73.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.461 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.64 -1.8 87.17 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.514 ' HD2' ' HB2' ' A' ' 60' ' ' GLU . 10.3 ptp180 -135.98 161.4 35.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.677 0.275 . . . . 0.0 110.362 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.834 ' H ' HD22 ' A' ' 80' ' ' LEU . 1.3 mm? -68.97 143.22 54.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.395 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.628 ' O ' HD12 ' A' ' 117' ' ' ILE . 87.4 mt -119.07 128.37 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.947 ' CG2' HD13 ' A' ' 117' ' ' ILE . 65.1 t -111.45 122.63 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.111 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.54 ' ND2' ' HD2' ' A' ' 71' ' ' LYS . 83.8 m-20 -108.55 130.12 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.653 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.097 HD12 HD11 ' A' ' 63' ' ' LEU . 86.7 mt -121.86 127.94 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.488 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.827 ' HE3' ' HB3' ' A' ' 68' ' ' ALA . 64.2 mttp -102.49 129.46 49.01 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.567 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.811 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -157.82 154.12 27.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.8 m -65.72 145.17 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.153 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.561 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 26.1 pttm -60.9 -32.65 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.321 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.542 HD12 ' OE1' ' A' ' 29' ' ' GLU . 61.0 tp -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.178 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -102.19 17.6 22.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.448 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.708 ' O ' HG22 ' A' ' 94' ' ' ILE . 91.0 t80 -58.07 -48.71 79.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.395 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' A' ' 95' ' ' ILE . 57.6 t -62.28 -44.61 99.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.394 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.99 -42.45 98.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.811 HG12 ' HB2' ' A' ' 86' ' ' ALA . 3.8 tp -59.54 -29.02 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.126 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 92' ' ' VAL . 88.0 mt -60.72 -45.5 97.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.973 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.546 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 59.9 mp0 -62.64 -46.95 85.84 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.873 -179.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.9 m-20 -71.86 -41.86 67.58 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.923 ' HG2' HG21 ' A' ' 84' ' ' ILE . 2.1 mptp? -68.41 -42.16 79.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.621 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.958 HD13 HD11 ' A' ' 102' ' ' ILE . 1.3 mm? -62.69 -41.86 99.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.02 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.559 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 98.9 m-20 -63.37 -39.84 95.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.739 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 74.5 mmtt -64.29 -39.29 93.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.958 HD11 HD13 ' A' ' 99' ' ' LEU . 44.8 pt -75.34 -37.49 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.987 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.526 ' N ' HG13 ' A' ' 102' ' ' ILE . 89.8 mt -62.16 -47.41 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 0.0 110.614 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.559 ' OE1' ' O ' ' A' ' 100' ' ' ASP . 4.5 mp0 -67.33 -39.38 85.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.773 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.599 ' NZ ' ' SG ' ' A' ' 128' ' ' CYS . 40.9 ttmt -60.41 -45.17 94.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.603 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.774 ' CG1' HD23 ' A' ' 111' ' ' LEU . 77.7 mt -60.86 -42.54 92.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.367 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.02 -41.65 92.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.777 -178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.541 ' HB2' HD13 ' A' ' 109' ' ' LEU . 98.5 mttt -72.95 -38.44 66.75 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.24 0.543 . . . . 0.0 109.731 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.924 HD13 ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -156.98 178.19 10.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.018 179.689 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -90.07 129.41 36.37 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 1.09 HD21 ' CE2' ' A' ' 59' ' ' TYR . 3.7 pp -72.92 -17.32 61.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.966 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.796 ' HA ' HD23 ' A' ' 80' ' ' LEU . 98.2 m-20 -64.09 -22.1 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.47 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.284 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.537 ' CZ ' ' OE1' ' A' ' 138' ' ' GLU . 53.1 m-85 -78.83 110.76 14.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.318 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.516 ' HA ' HD12 ' A' ' 80' ' ' LEU . 62.8 ttm-85 -63.05 -43.07 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.721 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.417 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 92.0 t80 -121.04 122.37 39.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.406 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 1.003 HG23 ' SG ' ' A' ' 128' ' ' CYS . 0.5 OUTLIER -127.59 131.28 70.24 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.478 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 83' ' ' ASN . 3.3 t-20 -148.37 113.58 5.54 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.548 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.796 ' HB2' HD12 ' A' ' 126' ' ' ILE . . . -83.0 156.29 23.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.554 ' O ' ' O ' ' A' ' 121' ' ' ASN . 53.1 p -124.99 161.14 27.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.066 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.554 ' O ' ' O ' ' A' ' 120' ' ' THR . 60.8 m-20 -39.29 169.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.485 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.68 -39.45 88.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.235 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.465 ' OE2' ' CE1' ' A' ' 124' ' ' HIS . 25.1 pt-20 -67.39 -14.34 62.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.934 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.506 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 51.4 m80 -112.82 158.98 19.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.686 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.533 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.3 m-20 -98.69 170.49 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.684 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.796 HD12 ' HB2' ' A' ' 119' ' ' ALA . 16.9 tt -108.09 133.96 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 110.431 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -120.32 139.08 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.579 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 1.003 ' SG ' HG23 ' A' ' 117' ' ' ILE . 75.5 m -125.75 149.1 48.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.703 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.502 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.3 m-85 -117.54 137.05 52.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.131 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.617 ' CE2' ' HE3' ' A' ' 131' ' ' LYS . 62.3 t80 -60.89 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.617 ' HE3' ' CE2' ' A' ' 130' ' ' TYR . 34.9 mmtp -116.07 12.22 15.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.491 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.502 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.33 -13.37 67.37 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.497 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 83.0 t80 -162.53 116.79 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.537 ' NZ ' ' NZ ' ' A' ' 136' ' ' LYS . 6.8 mtpp 171.65 166.5 0.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.698 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 12.7 t -67.31 -25.23 65.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.579 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.537 ' NZ ' ' NZ ' ' A' ' 134' ' ' LYS . 39.2 mtmm -81.77 126.62 32.05 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.127 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -151.33 158.62 44.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.782 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.537 ' OE1' ' CZ ' ' A' ' 114' ' ' TYR . 88.8 tt0 -117.23 129.42 55.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.207 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 10.0 p -136.3 140.91 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.689 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.613 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.59 138.57 44.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.525 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.525 ' O ' ' OG ' ' A' ' 6' ' ' SER . 91.4 m-85 54.85 25.9 7.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.781 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.56 -46.56 94.18 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -66.93 -39.89 87.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.306 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.59 ' O ' ' N ' ' A' ' 8' ' ' TYR . 51.2 m 47.66 39.62 10.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.137 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 59.87 -72.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.927 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.59 ' N ' ' O ' ' A' ' 6' ' ' SER . 94.2 t80 -129.77 88.4 2.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.171 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.587 ' O ' ' CB ' ' A' ' 10' ' ' SER . 61.1 t-20 -62.18 -44.61 96.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.587 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 2.9 m 154.31 107.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.555 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 58.42 28.74 17.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.949 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' NH2' ' NE2' ' A' ' 124' ' ' HIS . 41.7 mmt180 56.6 62.01 2.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.462 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 10' ' ' SER . 75.8 mmtt -60.98 147.1 44.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.86 0.362 . . . . 0.0 110.401 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.12 133.33 55.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 94.3 p -100.02 -122.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.468 ' HD1' ' O ' ' A' ' 17' ' ' ASN . 53.6 p90 -148.84 160.76 42.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 0.0 110.742 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.468 ' O ' ' HD1' ' A' ' 16' ' ' PHE . 87.2 m-20 -83.77 160.9 21.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.703 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -144.97 160.58 41.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.551 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.1 m 57.29 32.33 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.435 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -61.9 -41.48 97.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.605 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -78.24 -12.83 60.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.524 ' HB3' ' CG ' ' A' ' 25' ' ' GLU . 5.5 mp0 -81.73 60.05 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.942 0.401 . . . . 0.0 110.609 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -61.44 -42.73 99.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.763 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -60.55 -25.43 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.733 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.524 ' CG ' ' HB3' ' A' ' 22' ' ' GLN . 78.6 mm-40 -62.61 -40.31 96.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.408 . . . . 0.0 110.458 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -67.44 -38.77 85.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.844 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.8 98.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.892 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 16.3 pt20 -73.6 -25.43 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.438 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.521 ' OE2' ' C ' ' A' ' 88' ' ' LYS . 54.4 tp10 -62.27 -42.55 99.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.322 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -62.64 -40.4 96.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.482 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.83 -40.4 95.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.321 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.645 ' CZ ' ' O ' ' A' ' 89' ' ' LEU . 79.8 ttt180 -61.61 -43.76 98.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.341 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.93 -39.16 93.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.537 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -61.85 -39.95 93.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.001 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.899 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.66 -39.1 90.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.28 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 79.3 t80 -58.22 -47.48 83.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.47 -37.92 82.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.791 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.72 7.99 44.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.362 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.899 HD23 ' O ' ' A' ' 36' ' ' ALA . 2.1 mm? -111.74 93.58 4.53 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.849 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.9 t0 -67.52 130.7 43.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.802 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.1 17.86 70.97 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.935 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.756 ' CD1' HD12 ' A' ' 40' ' ' LEU . 93.1 m95 -118.25 142.0 47.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.798 0.333 . . . . 0.0 110.755 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 81.1 m-85 -134.22 145.65 49.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.756 HD21 ' HB2' ' A' ' 52' ' ' ALA . 92.6 mt -118.7 139.65 51.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.615 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 40.1 t -120.22 128.52 53.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.408 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.0 p -67.12 -37.35 83.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 63.5 mtt -62.95 -40.58 98.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.631 ' O ' ' C ' ' A' ' 50' ' ' ASP . 99.4 mttt -122.17 38.76 4.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.579 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.631 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.5 m-20 -5.21 75.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.57 0.544 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.4 t -149.63 150.27 31.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.859 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.756 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -108.64 138.27 45.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.345 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.2 p90 -149.99 163.47 38.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.51 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 1.041 ' HD3' HD11 ' A' ' 61' ' ' ILE . 22.0 ptmt -132.49 147.98 52.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -114.89 106.26 13.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.341 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.646 ' CE1' ' CE ' ' A' ' 54' ' ' LYS . 1.4 m-85 -92.51 -9.83 39.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 0.0 110.392 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.63 -9.73 76.77 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -113.46 -31.08 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.463 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.609 ' CD2' HD12 ' A' ' 111' ' ' LEU . 54.2 p90 -154.81 160.92 41.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.603 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.569 ' OE2' ' CD1' ' A' ' 53' ' ' TYR . 51.5 tp10 -121.48 128.23 51.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.615 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.041 HD11 ' HD3' ' A' ' 54' ' ' LYS . 47.3 pt -130.8 137.18 56.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.482 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.661 ' CZ ' ' OD1' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -139.48 157.09 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.103 0.477 . . . . 0.0 110.949 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.872 ' N ' HD12 ' A' ' 63' ' ' LEU . 2.3 mp -112.21 146.94 37.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.863 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.552 ' HB2' ' CD ' ' A' ' 71' ' ' LYS . 99.5 p -142.83 162.78 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.789 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.477 ' HB2' ' HE3' ' A' ' 71' ' ' LYS . 98.8 m-20 -56.27 -159.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.594 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.575 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 86.6 t60 -58.81 -46.51 87.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.308 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.5 p -111.03 136.45 50.03 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.14 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.634 ' O ' ' CD1' ' A' ' 72' ' ' TYR . . . -115.03 23.02 12.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.807 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.501 ' HA ' ' CE1' ' A' ' 72' ' ' TYR . 98.4 m-20 -60.12 -41.52 92.82 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.843 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -102.43 2.83 37.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.857 0.36 . . . . 0.0 110.332 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.552 ' CD ' ' HB2' ' A' ' 64' ' ' SER . 68.9 mttm -102.53 3.55 37.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.438 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 68' ' ' ALA . 51.8 m-85 -70.24 145.49 51.31 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.499 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -105.61 117.61 34.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.515 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.55 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 50.7 p30 -83.36 -176.96 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.709 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.55 ' HB3' ' O ' ' A' ' 74' ' ' ASP . 57.3 tp 74.16 153.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.676 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.517 ' HG3' ' H ' ' A' ' 78' ' ' GLY . 51.4 tp10 -108.02 126.3 52.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.615 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -99.38 3.3 45.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.517 ' H ' ' HG3' ' A' ' 76' ' ' GLU . . . 82.03 2.68 90.63 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.509 ' HD2' ' C ' ' A' ' 78' ' ' GLY . 12.4 mpt_? -118.91 153.24 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.725 0.298 . . . . 0.0 110.447 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.579 ' CD1' ' O ' ' A' ' 114' ' ' TYR . 3.7 mm? -56.64 149.82 16.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.414 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.7 mm -106.99 123.59 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.93 ' HB ' HG22 ' A' ' 61' ' ' ILE . 49.1 t -124.3 124.84 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.712 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.661 ' OD1' ' CZ ' ' A' ' 62' ' ' ARG . 98.3 m-20 -106.16 124.28 49.34 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.705 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.815 HG12 ' HB3' ' A' ' 119' ' ' ALA . 86.4 mt -119.1 127.87 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.451 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.575 ' CE ' ' O ' ' A' ' 66' ' ' HIS . 59.8 mtpt -101.86 126.5 48.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.749 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.707 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -162.37 150.79 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.4 m -73.72 148.61 42.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.587 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.521 ' C ' ' OE2' ' A' ' 29' ' ' GLU . 68.4 mttm -62.19 -39.59 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.834 0.349 . . . . 0.0 110.332 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.645 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 7.6 mp -62.55 -38.74 91.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.899 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -99.49 16.18 24.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.484 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.832 ' O ' HG23 ' A' ' 95' ' ' ILE . 87.3 t80 -58.6 -48.14 81.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.72 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 95' ' ' ILE . 66.8 t -61.44 -46.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.203 0.525 . . . . 0.0 110.44 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.31 -40.22 95.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.816 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.707 HG12 ' HB2' ' A' ' 86' ' ' ALA . 5.5 tp -70.46 -38.63 74.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.451 -178.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.832 HG23 ' O ' ' A' ' 91' ' ' PHE . 47.3 pt -67.26 -31.6 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.619 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 98.8 mt-10 -65.49 -41.46 93.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.557 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 64.7 t30 -84.45 -46.26 11.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.414 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.758 ' NZ ' HD23 ' A' ' 122' ' ' LEU . 14.4 mptt -64.83 -40.61 95.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.977 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.63 ' C ' HD23 ' A' ' 99' ' ' LEU . 10.2 tt -59.96 -44.13 94.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.973 0.416 . . . . 0.0 109.999 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.99 -39.26 91.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.461 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.577 ' O ' ' CG ' ' A' ' 105' ' ' LYS . 75.6 mmtt -62.54 -38.84 91.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.114 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.599 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -76.0 -45.43 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.648 -179.195 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.859 ' O ' HG22 ' A' ' 106' ' ' ILE . 33.4 mm -62.46 -47.29 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.718 0.294 . . . . 0.0 111.167 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 88.8 tt0 -67.0 -43.92 81.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 110.832 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.984 ' HE3' HD13 ' A' ' 140' ' ' ILE . 47.0 mmtm -64.54 -40.08 94.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.385 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.859 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.7 tt -63.5 -30.92 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.628 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -63.15 -45.07 93.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.412 ' NZ ' ' HG2' ' A' ' 104' ' ' GLU . 38.2 mtmm -73.27 -37.8 66.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.126 0.488 . . . . 0.0 110.242 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.966 ' O ' HD12 ' A' ' 109' ' ' LEU . 1.2 pp -148.52 132.2 16.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.385 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.56 140.12 58.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.929 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.609 HD12 ' CD2' ' A' ' 59' ' ' TYR . 88.3 mt -63.6 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.361 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.533 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 64.6 t0 -51.76 -17.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.186 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -64.63 -38.18 90.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.868 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.599 ' OH ' HD13 ' A' ' 109' ' ' LEU . 32.0 m-85 -86.64 122.79 31.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.15 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.554 ' HB2' ' N ' ' A' ' 132' ' ' GLY . 56.6 mmm-85 -63.58 -39.53 94.63 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.355 -0.538 . . . . 0.0 109.633 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -150.26 122.89 8.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.193 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 1.015 HG22 ' CB ' ' A' ' 128' ' ' CYS . 33.3 pt -125.85 149.95 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.552 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 51.0 t30 -145.94 112.17 5.77 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.614 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.815 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.16 153.17 24.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.93 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.589 ' O ' ' O ' ' A' ' 121' ' ' ASN . 72.1 p -127.82 161.92 27.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.53 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.589 ' O ' ' O ' ' A' ' 120' ' ' THR . 56.8 m-20 -39.14 171.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.744 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.758 HD23 ' NZ ' ' A' ' 98' ' ' LYS . 90.9 mt -60.34 -40.4 90.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.434 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.62 -35.7 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.942 0.401 . . . . 0.0 110.02 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.558 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 64.8 m170 -82.13 157.83 23.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.466 ' O ' ' OG1' ' A' ' 120' ' ' THR . 54.3 p30 -97.89 173.92 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.066 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.882 ' O ' HG13 ' A' ' 139' ' ' VAL . 62.9 mt -107.59 128.97 62.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.174 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.473 ' HA ' HG22 ' A' ' 139' ' ' VAL . 19.9 ptmt -141.82 136.07 30.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.248 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 1.015 ' CB ' HG22 ' A' ' 117' ' ' ILE . 31.2 p -137.81 171.87 13.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.471 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.5 m-85 -111.11 135.96 50.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.212 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.79 -48.69 80.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.456 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.545 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 16.7 ptpt -113.84 11.1 17.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.353 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.554 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 95.54 -17.21 59.73 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.52 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 81.6 t80 -162.35 116.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.797 ' NZ ' HG22 ' A' ' 135' ' ' THR . 29.6 tptp 174.29 159.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.381 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.797 HG22 ' NZ ' ' A' ' 134' ' ' LYS . 11.4 t -68.01 -9.51 46.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.458 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 35.2 mmtp -98.67 131.48 44.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 26.4 pttm -150.47 158.61 44.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.374 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.536 ' OE1' ' OH ' ' A' ' 114' ' ' TYR . 88.7 tt0 -116.69 124.55 49.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.313 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 126' ' ' ILE . 90.8 t -124.35 128.73 73.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.687 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.984 HD13 ' HE3' ' A' ' 105' ' ' LYS . 90.1 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.576 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 1' ' ' MET . 60.7 ttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.618 ' HB1' ' HG3' ' A' ' 5' ' ' LYS . . . -63.99 142.75 58.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.502 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -119.61 125.84 49.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.81 1.26 90.17 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.618 ' HG3' ' HB1' ' A' ' 2' ' ' ALA . 10.9 ptmm? -151.01 35.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.572 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m -62.34 -39.84 94.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.236 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -81.73 -99.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.939 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.585 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 98.5 m-85 -109.84 12.24 24.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.947 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.566 ' ND2' ' HE2' ' A' ' 5' ' ' LYS . 48.4 t-20 57.14 39.62 28.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.283 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.5 p -70.0 -19.69 63.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.65 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -59.75 -48.22 82.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.609 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' NH1' ' HD2' ' A' ' 5' ' ' LYS . 83.5 mtt85 -76.01 -117.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.585 ' NZ ' ' O ' ' A' ' 8' ' ' TYR . 64.4 mttp 54.22 40.66 31.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.824 0.345 . . . . 0.0 110.499 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.547 ' O ' ' O ' ' A' ' 13' ' ' LYS . 83.7 mtt85 40.06 -171.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.722 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.7 p -156.31 161.94 40.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.354 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -133.75 126.02 29.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.749 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -146.3 103.84 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.501 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.549 HH11 ' N ' ' A' ' 19' ' ' SER . 53.3 tpt85 -136.94 130.07 31.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.976 0.417 . . . . 0.0 110.62 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.549 ' N ' HH11 ' A' ' 18' ' ' ARG . 6.5 t 67.55 86.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.732 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.459 ' O ' ' HB3' ' A' ' 25' ' ' GLU . 29.1 t-20 -84.38 111.47 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 59.7 mtpt 59.12 46.5 13.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.6 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 21' ' ' LYS . 7.5 mm100 70.23 163.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.724 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -64.21 -25.84 68.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.698 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -60.36 -47.05 87.7 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.408 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.562 ' OE2' ' CG ' ' A' ' 29' ' ' GLU . 16.4 tm-20 -64.24 -41.57 96.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.268 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -60.2 -48.73 80.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.32 94.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.535 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.32 -40.64 96.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.484 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.89 ' OE1' HD23 ' A' ' 89' ' ' LEU . 78.2 mm-40 -62.66 -39.33 93.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.528 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.2 -46.76 88.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.31 -40.35 96.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.095 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.475 ' NH2' ' HB ' ' A' ' 92' ' ' VAL . 4.5 tmt_? -61.62 -43.91 97.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.357 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.705 ' HG ' HD13 ' A' ' 45' ' ' LEU . 61.5 tp -61.6 -43.98 97.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.216 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -62.67 -38.56 90.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.251 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' NZ ' ' OD1' ' A' ' 39' ' ' ASN . 29.6 tptp -59.68 -42.31 92.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.999 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.933 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.69 -39.03 87.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.204 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 44' ' ' TYR . 62.2 t80 -57.47 -47.0 83.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.98 -39.8 82.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.994 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.46 ' OD1' ' NZ ' ' A' ' 35' ' ' LYS . 9.5 m120 -98.22 9.72 42.29 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.933 HD23 ' O ' ' A' ' 36' ' ' ALA . 3.4 mm? -113.12 84.77 2.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.7 t0 -67.05 132.86 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.766 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.635 ' O ' ' CE3' ' A' ' 43' ' ' TRP . . . 92.75 -5.23 76.5 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.657 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.837 ' CD1' HD12 ' A' ' 40' ' ' LEU . 8.9 m95 -119.57 148.33 43.44 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.571 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 61.7 m-85 -134.06 148.12 51.0 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.211 -178.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.705 HD13 ' HG ' ' A' ' 33' ' ' LEU . 87.0 mt -137.06 132.61 34.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.45 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.9 m -112.82 127.94 56.31 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.495 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.9 t -66.4 -45.23 80.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.474 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.465 ' HG3' ' HG3' ' A' ' 49' ' ' LYS . 27.3 ptt? -68.52 -29.85 68.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.454 -179.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.63 ' O ' ' N ' ' A' ' 51' ' ' SER . 62.0 mtpt -118.69 39.5 3.48 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.809 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.8 p30 -8.18 76.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.612 0.57 . . . . 0.0 111.037 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.6 t -154.51 154.35 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.367 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.89 ' HB3' ' CG ' ' A' ' 63' ' ' LEU . . . -107.67 130.52 54.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.1 0.476 . . . . 0.0 110.595 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.612 ' CE1' ' NH2' ' A' ' 62' ' ' ARG . 0.5 OUTLIER -107.43 137.64 45.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.25 -179.622 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.698 ' HZ1' HD23 ' A' ' 99' ' ' LEU . 58.3 mtpt -127.03 127.48 44.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.647 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -114.39 121.63 44.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.604 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 97.8 m-85 -113.02 -16.01 12.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.992 0.425 . . . . 0.0 110.401 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.37 -11.36 70.05 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.528 ' HE2' ' OD2' ' A' ' 110' ' ' ASP . 60.6 mtpt -115.62 -29.51 6.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.005 0.431 . . . . 0.0 110.225 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 1.08 ' CZ ' HD21 ' A' ' 111' ' ' LEU . 53.7 p90 -154.95 161.43 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.376 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.594 ' OE1' HD12 ' A' ' 81' ' ' ILE . 16.5 tm-20 -117.58 123.25 45.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.698 HG23 ' HD1' ' A' ' 59' ' ' TYR . 48.7 pt -132.18 138.42 52.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.041 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.612 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 19.7 ptp180 -136.9 159.07 42.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.359 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.89 ' CG ' ' HB3' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -121.16 140.8 51.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.602 -179.814 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.514 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 49.9 m -127.08 168.21 14.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.122 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -54.83 -173.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -60.8 -39.68 89.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.7 m -71.65 146.12 48.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.224 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.02 23.82 13.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.448 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.473 ' O ' ' HD1' ' A' ' 72' ' ' TYR . 98.6 m-20 -60.49 -38.26 83.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.156 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.426 ' C ' ' H ' ' A' ' 72' ' ' TYR . 34.3 m120 -88.39 1.6 54.37 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.878 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.754 ' HZ2' ' CB ' ' A' ' 83' ' ' ASN . 1.8 tmtp? -72.52 43.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.803 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.473 ' HD1' ' O ' ' A' ' 69' ' ' ASP . 95.4 m-85 -131.01 143.53 50.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.446 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -127.12 126.78 43.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.52 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -62.67 -45.57 92.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.688 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.4 tp -133.57 129.88 37.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -68.38 143.98 54.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.223 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -91.04 1.25 57.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.946 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.81 18.81 79.67 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -129.15 155.97 44.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 110.473 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.075 HD23 ' N ' ' A' ' 81' ' ' ILE . 3.3 tt -56.21 136.46 52.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.203 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.075 ' N ' HD23 ' A' ' 80' ' ' LEU . 11.1 tp -117.08 128.09 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.467 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.916 HG22 ' CG1' ' A' ' 117' ' ' ILE . 53.1 t -126.4 124.59 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.293 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.754 ' CB ' ' HZ2' ' A' ' 71' ' ' LYS . 16.2 t-20 -100.64 111.64 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.541 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.889 HG12 ' HB3' ' A' ' 119' ' ' ALA . 82.4 mt -113.05 122.88 68.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.321 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.514 ' HA ' ' O ' ' A' ' 64' ' ' SER . 64.3 mttp -77.16 136.33 38.58 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.092 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.82 ' HB2' HD13 ' A' ' 94' ' ' ILE . . . -154.43 160.02 41.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.001 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.3 t -119.32 141.96 48.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.052 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.522 ' CD ' ' HB3' ' A' ' 29' ' ' GLU . 9.4 ptpp? -57.07 -28.47 62.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.343 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.89 HD23 ' OE1' ' A' ' 29' ' ' GLU . 86.3 mt -64.38 -39.64 94.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.211 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -120.04 30.05 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.732 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.734 ' HE1' HD11 ' A' ' 63' ' ' LEU . 85.9 t80 -58.64 -49.47 77.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.777 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.581 ' O ' HG12 ' A' ' 95' ' ' ILE . 64.6 t -65.61 -43.01 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 110.735 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -63.15 -42.57 99.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.207 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.82 HD13 ' HB2' ' A' ' 86' ' ' ALA . 9.9 tt -62.55 -38.23 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.471 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.591 ' O ' ' CG ' ' A' ' 99' ' ' LEU . 42.6 pt -74.11 -25.0 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.548 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.56 -46.41 90.02 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.601 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.544 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.7 m-20 -89.85 -36.7 14.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.114 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.568 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 74.8 mmtt -65.55 -40.06 92.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.085 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.698 HD23 ' HZ1' ' A' ' 54' ' ' LYS . 83.0 mt -63.27 -40.62 97.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.837 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.15 -39.52 92.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.402 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.9 mmtt -62.73 -38.83 92.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.816 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.828 HG22 HD22 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -76.99 -42.96 32.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.674 -179.275 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 1.059 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.1 mm -61.76 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.31 -43.08 95.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.045 0.45 . . . . 0.0 110.407 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 109' ' ' LEU . 62.2 mtpt -62.88 -39.65 95.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 1.059 HG22 ' O ' ' A' ' 103' ' ' ILE . 16.9 tt -62.64 -27.1 42.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -66.4 -42.88 87.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.474 ' HG3' ' HG ' ' A' ' 109' ' ' LEU . 8.0 ptpp? -89.52 -34.79 16.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.793 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.563 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 3.7 pp -156.47 147.14 21.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.442 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.562 ' CG ' ' CG ' ' A' ' 112' ' ' ASP . 66.0 t0 -84.07 109.97 18.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.903 0.382 . . . . 0.0 110.473 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 1.08 HD21 ' CZ ' ' A' ' 59' ' ' TYR . 1.1 pp -45.13 -14.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.055 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.757 ' HA ' HD12 ' A' ' 80' ' ' LEU . 56.7 p-10 -65.28 -14.29 60.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.908 0.385 . . . . 0.0 110.333 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 98.1 mttt -64.9 -38.55 91.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.256 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.712 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 26.1 m-85 -75.61 123.76 26.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.169 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.497 ' HB2' ' HA ' ' A' ' 131' ' ' LYS . 99.4 mtt180 -63.47 -39.47 94.53 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.179 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.451 ' HE1' ' HE2' ' A' ' 71' ' ' LYS . 92.3 t80 -146.61 120.05 9.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 111.406 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.916 ' CG1' HG22 ' A' ' 82' ' ' VAL . 40.4 pt -130.91 150.82 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.581 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 48.3 t-20 -143.81 111.73 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.96 -178.389 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.889 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.84 156.06 22.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.318 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.611 ' CG2' ' CB ' ' A' ' 124' ' ' HIS . 5.2 m -122.65 161.24 24.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.521 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.553 ' O ' ' O ' ' A' ' 120' ' ' THR . 21.4 m120 -38.04 167.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.94 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 122' ' ' LEU . 92.0 mt -60.86 -40.32 92.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.991 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.16 -34.4 77.96 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.611 ' CB ' ' CG2' ' A' ' 120' ' ' THR . 80.6 m80 -82.81 165.92 19.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.388 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.38 169.14 10.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.25 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 139' ' ' VAL . 16.1 tt -108.93 137.42 41.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 111.123 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -121.53 147.4 45.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.565 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.712 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 53.4 t -134.64 127.06 30.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.666 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.461 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.2 m-85 -110.96 132.06 54.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.375 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -59.81 -49.37 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.594 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 115' ' ' ARG . 3.3 ptmm? -118.04 8.49 12.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.06 0.457 . . . . 0.0 110.204 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.461 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 97.35 -21.68 44.85 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 109.646 -1.381 . . . . 0.0 109.646 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 93.0 m-85 -149.55 115.82 5.77 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 39.5 ttmt 174.77 159.49 0.18 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.924 0.393 . . . . 0.0 110.668 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.456 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 77.5 p -69.17 -20.56 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.999 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -90.55 118.46 30.02 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 14.7 ptmm? -151.1 159.02 44.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 128' ' ' CYS . 79.7 mm-40 -114.42 140.68 48.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.094 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 126' ' ' ILE . 11.0 p -136.01 142.38 39.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.876 0.37 . . . . 0.0 110.795 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.728 HG22 ' O ' ' A' ' 140' ' ' ILE . 89.2 mt . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.552 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.614 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 65.3 mtt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.08 94.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 1' ' ' MET . 81.1 m-85 47.49 -151.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.32 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.68 -9.75 76.74 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -106.38 -26.38 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.241 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.5 m 50.68 41.96 26.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.748 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.589 ' O ' ' CB ' ' A' ' 8' ' ' TYR . 12.6 mpt_? 52.14 48.44 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.052 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.589 ' CB ' ' O ' ' A' ' 7' ' ' ARG . 48.9 t80 94.34 -87.31 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.933 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.583 ' OD1' ' O ' ' A' ' 11' ' ' TYR . 27.2 t-20 -149.27 104.5 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.3 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -61.32 -41.83 97.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.809 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.585 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 96.8 m-85 -67.54 152.85 44.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.674 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' ' 11' ' ' TYR . 23.7 tpp180 77.74 73.54 0.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.887 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 16' ' ' PHE . 58.1 mtmt -126.67 146.6 50.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.213 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.482 ' HD2' ' N ' ' A' ' 14' ' ' ARG . 2.5 mpt_? -61.95 -40.2 94.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.771 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.6 p -162.22 -92.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.671 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 13' ' ' LYS . 93.5 m-85 57.97 30.51 19.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.522 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 17' ' ' ASN . 53.7 p30 -90.67 5.24 48.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.515 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -63.01 -39.49 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.52 ' OG ' ' HB2' ' A' ' 23' ' ' ARG . 39.5 t -64.1 138.84 58.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.797 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -146.8 -77.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.436 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -117.1 -24.11 7.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.497 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 26.5 pt20 -66.37 -19.36 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.668 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' HB2' ' OG ' ' A' ' 19' ' ' SER . 7.9 tmm_? -60.15 -41.85 93.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.608 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.568 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 17.2 tpt180 -59.9 -42.51 93.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.544 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.532 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 54.4 tp10 -60.39 -41.37 93.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CD1' ' O ' ' A' ' 22' ' ' GLN . 71.0 m-85 -67.66 -28.5 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.38 89.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.682 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.568 ' OE1' ' O ' ' A' ' 24' ' ' ARG . 26.5 mp0 -63.66 -39.82 95.31 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.17 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.564 ' HG2' ' NH2' ' A' ' 32' ' ' ARG . 98.2 mt-10 -62.72 -39.81 95.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.454 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.5 mtt -63.14 -40.67 98.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 98.4 m-20 -61.79 -41.87 98.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.965 0.412 . . . . 0.0 110.528 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.567 ' NH2' HD23 ' A' ' 89' ' ' LEU . 47.6 mtm105 -68.14 -39.15 82.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 86.5 mt -63.03 -42.08 99.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.435 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.5 pt-20 -68.71 -38.17 80.03 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.097 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 87.8 tttt -62.46 -45.46 92.96 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.654 ' C ' HD12 ' A' ' 40' ' ' LEU . . . -62.88 -38.68 91.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.425 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' HD1' HD12 ' A' ' 45' ' ' LEU . 93.3 t80 -58.49 -46.04 87.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.72 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.96 -41.19 95.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.004 0.43 . . . . 0.0 110.118 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.579 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 38.7 p30 -95.18 12.2 29.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.519 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 36' ' ' ALA . 1.1 mt -104.62 68.79 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.37 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.497 ' O ' ' NZ ' ' A' ' 54' ' ' LYS . 99.0 m-20 -65.08 136.55 56.87 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.073 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.807 ' HA3' ' HZ2' ' A' ' 54' ' ' LYS . . . 81.29 -0.97 86.87 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.406 -0.677 . . . . 0.0 111.406 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.632 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 96.9 m95 -119.46 139.88 51.34 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.251 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.591 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 81.8 m-85 -134.09 137.83 44.87 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.557 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 51' ' ' SER . 3.1 mp -122.65 145.18 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.987 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.537 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.8 p -119.77 132.95 55.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.369 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -66.12 -39.55 90.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.307 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.5 ' HG3' ' HD3' ' A' ' 49' ' ' LYS . 18.1 tpt -60.02 -45.36 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.209 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.616 ' O ' ' C ' ' A' ' 50' ' ' ASP . 3.4 mptp? -123.48 39.18 4.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.616 ' C ' ' O ' ' A' ' 49' ' ' LYS . 28.4 t0 0.81 67.72 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.61 0.569 . . . . 0.0 111.535 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 49' ' ' LYS . 70.6 m -129.95 148.94 51.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.719 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -124.94 147.32 48.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.585 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 44' ' ' TYR . 53.5 p90 -147.81 160.05 43.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.031 0.443 . . . . 0.0 111.101 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.807 ' HZ2' ' HA3' ' A' ' 42' ' ' GLY . 15.3 tppt? -124.23 125.53 44.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.507 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -100.75 101.21 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.712 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.461 ' HD1' ' HG3' ' A' ' 54' ' ' LYS . 1.8 m-85 -98.51 -15.94 19.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.384 . . . . 0.0 110.575 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.33 -10.01 75.67 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.561 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 62.2 mtpt -115.23 -33.74 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.192 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.496 ' HD1' HG23 ' A' ' 61' ' ' ILE . 53.7 p90 -152.86 161.49 42.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.381 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -121.98 128.75 51.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.704 HG22 ' HB ' ' A' ' 82' ' ' VAL . 47.3 pt -127.95 137.23 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.947 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 20.7 ptp180 -140.18 159.16 42.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.11 0.481 . . . . 0.0 111.432 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.806 HD13 HG21 ' A' ' 94' ' ' ILE . 90.5 mt -109.25 147.28 32.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.371 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.4 p -148.14 162.19 39.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.983 0.421 . . . . 0.0 110.653 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -64.36 -177.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.639 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -59.2 -46.56 88.11 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.8 t -64.1 139.0 58.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.915 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.667 ' HB2' ' NZ ' ' A' ' 85' ' ' LYS . . . -99.91 22.95 10.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.019 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.605 ' OD1' ' N ' ' A' ' 70' ' ' ASN . 50.9 p-10 -60.24 -36.91 78.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.693 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.605 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 56.4 t30 -104.0 2.68 32.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.367 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.5 ' HD2' ' HE3' ' A' ' 85' ' ' LYS . 63.9 tttm -61.27 -43.27 99.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.002 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -90.85 151.37 21.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.404 . . . . 0.0 110.968 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.769 ' NE2' HD13 ' A' ' 81' ' ' ILE . 31.7 p80 -142.72 159.07 42.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.6 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -98.82 1.21 45.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.069 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.636 ' O ' ' CE1' ' A' ' 73' ' ' HIS . 3.7 mm? -103.92 132.35 50.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.951 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -116.96 138.85 51.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.376 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.561 ' OD1' ' O ' ' A' ' 77' ' ' ASN . 54.0 t-20 -99.77 0.04 40.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.76 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.557 ' O ' ' NE ' ' A' ' 79' ' ' ARG . . . 80.95 3.67 90.59 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.557 ' NE ' ' O ' ' A' ' 78' ' ' GLY . 6.1 mmp_? -120.06 161.02 21.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.451 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.878 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.6 OUTLIER -55.61 142.66 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.528 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.769 HD13 ' NE2' ' A' ' 73' ' ' HIS . 88.1 mt -117.22 128.87 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.943 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.83 HG22 ' CG1' ' A' ' 117' ' ' ILE . 48.7 t -118.68 121.22 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.733 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.574 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 33.3 m120 -105.73 121.49 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.061 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.084 ' CG1' ' HB3' ' A' ' 119' ' ' ALA . 3.9 mp -123.67 128.01 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.148 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.667 ' NZ ' ' HB2' ' A' ' 68' ' ' ALA . 99.4 mttt -97.67 132.06 43.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.133 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.529 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -154.53 151.52 28.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.365 . . . . 0.0 110.84 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.58 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 40.7 t -67.26 144.53 55.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.683 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.5 ' HE3' ' OD2' ' A' ' 50' ' ' ASP . 62.6 mtpt -61.21 -39.13 89.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.211 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.567 HD23 ' NH2' ' A' ' 32' ' ' ARG . 89.2 mt -62.59 -39.02 92.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.706 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.58 ' OD1' ' O ' ' A' ' 87' ' ' SER . 53.3 p30 -99.55 23.76 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.556 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.92 ' O ' HG22 ' A' ' 94' ' ' ILE . 87.7 t80 -58.43 -48.81 79.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.81 -43.34 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.132 0.491 . . . . 0.0 110.228 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -60.7 -40.81 93.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.023 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.92 HG22 ' O ' ' A' ' 91' ' ' PHE . 7.4 tp -58.14 -29.48 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.453 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.581 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 31.9 mm -62.25 -46.18 97.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.652 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.92 -42.84 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.976 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.8 ' ND2' HD21 ' A' ' 122' ' ' LEU . 64.9 t30 -75.08 -50.97 14.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.732 0.301 . . . . 0.0 111.736 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.693 ' NZ ' HD21 ' A' ' 63' ' ' LEU . 39.2 ttpt -64.17 -43.05 96.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.978 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.729 HD21 HD11 ' A' ' 103' ' ' ILE . 10.4 tt -59.15 -42.67 91.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.102 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.82 -38.86 89.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.617 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.681 ' HB3' ' HZ3' ' A' ' 105' ' ' LYS . 50.6 mmtm -62.56 -39.32 93.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.259 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.97 HG22 HD11 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -71.58 -39.07 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.857 -178.449 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.775 ' O ' HG22 ' A' ' 106' ' ' ILE . 89.5 mt -61.34 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.71 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.55 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 88.8 tt0 -65.07 -43.08 93.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 110.533 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.681 ' HZ3' ' HB3' ' A' ' 101' ' ' LYS . 62.8 mttp -63.25 -41.37 99.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.085 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.775 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.3 tt -70.2 -29.81 41.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.639 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.5 -43.79 98.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.496 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.55 ' NZ ' ' HG2' ' A' ' 104' ' ' GLU . 38.4 mtmm -92.39 -29.46 16.3 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.226 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.645 HD13 ' CZ ' ' A' ' 114' ' ' TYR . 3.0 pp -156.74 144.16 19.0 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.28 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.73 144.72 50.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.042 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.97 HD11 HG22 ' A' ' 102' ' ' ILE . 90.8 mt -64.44 -35.85 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.542 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.561 ' OD1' ' O ' ' A' ' 58' ' ' LYS . 98.7 m-20 -61.03 -16.51 44.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.941 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.479 ' HD2' ' HB2' ' A' ' 109' ' ' LEU . 97.9 mttt -63.98 -38.47 91.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.001 0.429 . . . . 0.0 110.023 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.878 ' O ' HD11 ' A' ' 80' ' ' LEU . 49.0 m-85 -81.08 130.97 35.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.161 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.531 ' HD3' ' O ' ' A' ' 131' ' ' LYS . 60.4 ttt85 -63.58 -43.16 97.8 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.618 178.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -148.52 124.43 10.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.83 ' CG1' HG22 ' A' ' 82' ' ' VAL . 28.4 pt -126.94 150.64 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.574 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 48.6 t30 -144.89 114.49 7.2 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.819 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.084 ' HB3' ' CG1' ' A' ' 84' ' ' ILE . . . -83.01 152.31 25.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.881 179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 70.5 p -127.46 162.25 26.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.759 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.575 ' OD1' ' CB ' ' A' ' 124' ' ' HIS . 48.5 p-10 -59.23 175.19 0.33 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.8 HD21 ' ND2' ' A' ' 97' ' ' ASN . 96.3 mt -62.1 -40.46 95.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.504 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.69 -34.61 78.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.963 0.411 . . . . 0.0 110.641 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.579 ' ND1' ' O ' ' A' ' 125' ' ' ASP . 63.8 t-80 -93.17 164.04 13.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.829 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.579 ' O ' ' ND1' ' A' ' 124' ' ' HIS . 97.9 m-20 -98.26 157.78 15.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.669 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.899 ' O ' HG23 ' A' ' 139' ' ' VAL . 14.7 tt -109.23 138.82 34.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.054 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' A' ' 125' ' ' ASP . 0.6 OUTLIER -127.94 150.5 49.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.717 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.789 ' SG ' HG22 ' A' ' 117' ' ' ILE . 54.0 t -132.43 125.98 32.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.43 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.48 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -109.7 129.45 55.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.618 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -59.9 -48.97 79.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.446 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 37.9 ttmt -117.51 6.8 12.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.135 0.493 . . . . 0.0 110.027 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.48 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 96.9 -21.37 46.48 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.533 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 92.1 m-85 -151.25 115.5 5.05 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.534 ' HE3' ' HB3' ' A' ' 136' ' ' LYS . 31.7 ttpt 174.15 161.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.572 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 10.6 t -68.62 -19.15 64.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.534 ' HB3' ' HE3' ' A' ' 134' ' ' LYS . 88.0 tttt -92.96 117.23 29.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.952 0.406 . . . . 0.0 110.794 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -151.32 158.47 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.504 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 128' ' ' CYS . 88.9 tt0 -114.49 128.24 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.212 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.6 p -133.55 142.45 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.885 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.571 ' OXT' HG22 ' A' ' 126' ' ' ILE . 85.4 mt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.524 ' O ' ' HG2' ' A' ' 5' ' ' LYS . . . 55.51 51.39 12.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.573 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.452 ' O ' ' HB3' ' A' ' 6' ' ' SER . 96.8 m-85 -76.59 -15.26 59.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.652 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.612 ' O ' ' CD1' ' A' ' 8' ' ' TYR . . . -61.08 -40.22 98.22 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 21.9 ptmt -62.14 -21.35 64.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.661 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.515 ' OG ' ' CZ ' ' A' ' 7' ' ' ARG . 40.8 t -62.17 139.88 58.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.652 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.515 ' CZ ' ' OG ' ' A' ' 6' ' ' SER . 2.9 mpp_? 71.53 -43.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.613 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 4' ' ' GLY . 84.4 m-85 -65.38 -38.89 91.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.437 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 61.6 t30 57.37 39.97 27.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.341 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -152.68 149.21 28.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.796 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -66.05 136.32 55.85 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.985 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.476 ' HD2' ' HB2' ' A' ' 14' ' ' ARG . 23.9 tpp180 -127.62 120.13 27.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.46 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -101.84 0.75 36.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.025 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.476 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . 83.7 mtp180 -81.02 65.68 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 110.712 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -90.99 -5.08 55.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.541 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.481 ' HD2' ' OG ' ' A' ' 19' ' ' SER . 94.3 m-85 -83.14 143.03 30.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.538 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 98.5 m-20 -98.75 7.82 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.702 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.554 ' NH1' ' CG ' ' A' ' 50' ' ' ASP . 21.8 mtt180 160.03 -35.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.835 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.487 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 83.4 p -70.66 159.39 34.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.755 0.312 . . . . 0.0 110.581 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.559 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 54.5 t-20 -131.07 22.39 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -129.26 -81.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.168 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -132.77 144.5 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.78 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.55 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 43.6 ttm180 -60.61 -43.08 97.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.783 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.582 ' OE2' HD11 ' A' ' 89' ' ' LEU . 16.4 tm-20 -61.15 -41.72 97.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.433 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.487 ' CD1' ' HB3' ' A' ' 19' ' ' SER . 92.0 t80 -59.92 -48.76 80.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.403 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.555 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -61.36 -40.36 93.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.561 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 99.1 mm-40 -63.28 -39.38 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.374 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.559 ' CG ' ' HB3' ' A' ' 88' ' ' LYS . 16.5 tm-20 -63.01 -40.64 98.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.921 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.4 tpt -60.36 -47.96 83.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.156 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.64 ' HB2' ' HZ3' ' A' ' 35' ' ' LYS . 7.5 p-10 -69.42 -39.01 78.13 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.487 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -61.27 -40.15 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.423 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.827 HD11 ' CD2' ' A' ' 45' ' ' LEU . 60.7 tp -59.91 -39.76 86.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.61 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.45 -39.58 88.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.679 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.64 ' HZ3' ' HB2' ' A' ' 31' ' ' ASP . 13.8 mptt -61.72 -39.55 91.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.168 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.952 ' O ' HD13 ' A' ' 40' ' ' LEU . . . -61.13 -39.71 91.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.411 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.71 ' HD1' HD12 ' A' ' 45' ' ' LEU . 92.1 t80 -58.2 -46.61 85.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tm-20 -59.46 -39.59 84.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.661 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -97.16 15.84 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.12 0.486 . . . . 0.0 110.109 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.952 HD13 ' O ' ' A' ' 36' ' ' ALA . 1.5 mp -109.96 72.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.786 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.1 129.12 38.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.04 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.628 ' O ' ' CE3' ' A' ' 43' ' ' TRP . . . 82.53 2.16 90.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.414 -0.675 . . . . 0.0 111.414 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.637 ' CZ3' ' CZ ' ' A' ' 56' ' ' PHE . 9.3 m95 -123.08 147.34 46.83 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -135.44 145.43 47.21 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.525 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.827 ' CD2' HD11 ' A' ' 33' ' ' LEU . 2.6 mp -129.91 145.3 51.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.287 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.1 m -118.48 129.05 55.15 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.833 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.3 p -81.06 -28.23 35.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.8 ptp -50.75 -29.87 12.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.626 ' O ' ' C ' ' A' ' 50' ' ' ASP . 64.1 tttm -148.64 67.39 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.564 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 95.6 m-20 0.87 68.11 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.712 0.632 . . . . 0.0 111.294 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.7 t -150.93 148.71 28.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.206 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.548 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -127.32 152.12 47.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.792 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.544 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 53.5 p90 -143.76 157.74 44.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.03 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.62 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 29.6 mmtp -121.15 145.72 47.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.474 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -114.39 104.26 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.987 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.637 ' CZ ' ' CZ3' ' A' ' 43' ' ' TRP . 97.0 m-85 -96.66 -14.84 21.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.009 0.433 . . . . 0.0 110.276 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.13 -12.03 67.6 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -115.86 -28.08 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.605 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 1.074 ' CE2' HD21 ' A' ' 111' ' ' LEU . 53.0 p90 -154.46 160.92 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.819 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -114.72 127.63 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.74 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.702 HG22 ' HB ' ' A' ' 82' ' ' VAL . 43.6 pt -129.27 138.97 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.95 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 9.2 ptm180 -134.77 157.07 47.68 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.154 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.649 HD11 HD12 ' A' ' 84' ' ' ILE . 8.1 mp -106.83 146.78 30.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.033 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 90.9 p -148.16 163.23 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.996 0.427 . . . . 0.0 110.913 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.449 ' CG ' ' H ' ' A' ' 66' ' ' HIS . 52.0 t30 -56.35 -168.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.621 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.544 ' O ' ' HD2' ' A' ' 85' ' ' LYS . 62.5 m170 -61.68 -39.7 92.35 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.5 t -64.07 138.08 58.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.623 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.964 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -113.29 23.01 13.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.156 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -71.9 -9.85 58.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.466 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -96.48 3.12 52.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.687 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.964 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 62.6 mtpt -62.06 -40.45 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.068 0.461 . . . . 0.0 110.69 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -73.55 132.38 42.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.85 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.526 ' CE1' HG21 ' A' ' 81' ' ' ILE . 51.4 m80 -108.32 124.89 51.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.744 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.15 -39.34 92.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.9 mt -93.07 143.12 26.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.967 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.597 ' OE2' ' CA ' ' A' ' 78' ' ' GLY . 16.0 tm-20 -90.95 123.93 34.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.142 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -100.16 -21.01 15.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.5 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.597 ' CA ' ' OE2' ' A' ' 76' ' ' GLU . . . 75.0 16.85 80.37 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -129.44 153.63 47.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.61 0.243 . . . . 0.0 110.465 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.773 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.4 OUTLIER -55.98 139.09 47.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.526 HG21 ' CE1' ' A' ' 73' ' ' HIS . 4.2 mp -114.95 127.39 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.701 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.933 HG22 ' CD1' ' A' ' 117' ' ' ILE . 53.6 t -116.53 123.13 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.813 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.565 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 23.1 m120 -103.87 123.16 46.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.29 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.716 HG12 ' HB3' ' A' ' 119' ' ' ALA . 84.6 mt -119.27 126.3 75.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.538 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.544 ' HD2' ' O ' ' A' ' 66' ' ' HIS . 57.9 mtmt -101.97 123.48 45.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.369 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.497 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -161.39 151.95 17.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.536 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.3 p -71.75 159.58 34.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.251 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.559 ' HB3' ' CG ' ' A' ' 29' ' ' GLU . 98.3 mttt -62.83 -40.1 96.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.353 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 89' ' ' LEU . 7.7 mp -63.83 -38.56 91.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.428 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -99.33 17.72 19.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.521 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.758 ' CE2' HD21 ' A' ' 45' ' ' LEU . 87.9 t80 -57.98 -49.22 77.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.544 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 95' ' ' ILE . 8.0 p -71.44 -33.13 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.073 0.463 . . . . 0.0 110.307 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.42 -39.38 94.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.245 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 91' ' ' PHE . 7.1 tp -65.92 -36.76 78.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.497 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 92' ' ' VAL . 44.1 pt -75.38 -24.94 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.879 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.577 ' OE1' ' OD1' ' A' ' 97' ' ' ASN . 16.5 tm-20 -62.05 -45.58 92.91 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.477 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.577 ' OD1' ' OE1' ' A' ' 96' ' ' GLU . 86.4 m-20 -90.86 -36.46 14.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.821 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.897 ' NZ ' ' HB2' ' A' ' 119' ' ' ALA . 59.1 tptt -64.34 -43.43 94.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.967 0.413 . . . . 0.0 110.338 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.577 HD11 ' HB ' ' A' ' 95' ' ' ILE . 85.9 mt -61.89 -41.37 97.81 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.459 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.23 -39.47 94.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.6 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.746 ' C ' ' HZ3' ' A' ' 105' ' ' LYS . 34.7 mmtp -65.72 -40.45 92.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.862 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 99' ' ' LEU . 45.4 pt -72.12 -39.14 64.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.977 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 99' ' ' LEU . 31.1 mm -62.75 -45.57 98.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.826 0.346 . . . . 0.0 110.43 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.35 -44.27 91.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.746 ' HZ3' ' C ' ' A' ' 101' ' ' LYS . 37.8 mtmm -63.4 -40.6 97.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.534 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 79.9 mt -61.95 -44.48 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.797 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.64 -39.61 88.91 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.317 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -87.45 -31.04 20.24 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.983 HD13 ' OH ' ' A' ' 114' ' ' TYR . 2.8 pp -157.42 138.68 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.726 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.533 ' HB3' ' OD1' ' A' ' 112' ' ' ASP . 99.0 m-20 -65.65 138.61 58.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.35 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 1.074 HD21 ' CE2' ' A' ' 59' ' ' TYR . 3.4 pp -80.03 -21.04 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.048 0.452 . . . . 0.0 110.146 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.533 ' OD1' ' HB3' ' A' ' 110' ' ' ASP . 60.0 p30 -71.22 -12.86 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.5 ' HG2' ' HB2' ' A' ' 110' ' ' ASP . 31.6 mmmt -64.41 -39.2 93.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.25 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.983 ' OH ' HD13 ' A' ' 109' ' ' LEU . 9.1 m-85 -75.06 133.86 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.241 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 130' ' ' TYR . 57.5 mmm-85 -63.58 -39.64 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.928 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.445 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 94.3 t80 -145.87 126.53 14.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.105 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.984 HG22 ' HB3' ' A' ' 128' ' ' CYS . 26.6 pt -127.38 151.26 34.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.363 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.565 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 64.9 t30 -147.72 139.17 23.74 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.875 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.897 ' HB2' ' NZ ' ' A' ' 98' ' ' LYS . . . -112.33 154.36 25.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.995 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.576 ' O ' ' O ' ' A' ' 121' ' ' ASN . 71.2 p -127.37 161.33 28.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.467 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.576 ' O ' ' O ' ' A' ' 120' ' ' THR . 55.9 t30 -39.28 169.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.461 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 122' ' ' LEU . 92.4 mt -60.96 -40.34 92.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.409 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.79 -34.1 77.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.105 0.479 . . . . 0.0 109.939 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.547 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 66.3 m170 -78.55 163.46 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.695 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.518 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.0 m-20 -98.04 162.78 13.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.409 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.808 ' O ' HG23 ' A' ' 139' ' ' VAL . 16.4 tt -109.12 136.22 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.532 ' NZ ' ' CE1' ' A' ' 129' ' ' TYR . 10.3 ptmm? -145.87 141.59 27.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.77 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.984 ' HB3' HG22 ' A' ' 117' ' ' ILE . 72.0 m -131.53 150.65 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.532 ' CE1' ' NZ ' ' A' ' 127' ' ' LYS . 98.9 m-85 -117.83 141.97 47.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.355 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.514 ' O ' ' HG2' ' A' ' 115' ' ' ARG . 76.0 m-85 -63.4 -40.36 97.0 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.706 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.499 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 16.8 ptpt -117.68 9.97 13.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.982 0.42 . . . . 0.0 110.435 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.445 ' HA2' ' HB3' ' A' ' 116' ' ' PHE . . . 91.63 -12.86 68.2 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.517 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 83.5 t80 -160.91 116.42 2.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' A' ' 135' ' ' THR . 59.8 tptt 174.83 161.06 0.21 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.391 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.539 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 11.4 t -67.7 -10.11 49.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.132 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.452 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 75.5 mmtt -101.49 119.82 39.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.427 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 64.9 pttt -150.4 158.74 44.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 127' ' ' LYS . 52.5 tp10 -109.16 129.31 55.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.282 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.1 p -133.68 139.77 48.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.634 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.788 HD12 HG23 ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.548 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.74 0.305 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.36 -43.87 98.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.496 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -64.4 -40.5 95.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.52 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.03 98.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.466 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.04 -41.2 97.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.201 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HG2' HD13 ' A' ' 89' ' ' LEU . 98.5 mt-10 -63.82 -39.12 93.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.45 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 ttp -60.28 -45.93 91.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.772 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.43 -41.97 98.02 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.248 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.518 ' HD2' ' C ' ' A' ' 32' ' ' ARG . 8.2 tmm_? -63.15 -43.0 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.024 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.576 HD11 ' CD2' ' A' ' 91' ' ' PHE . 63.0 tp -61.7 -44.11 97.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.817 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.13 -42.11 97.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.467 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -60.62 -43.55 97.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.521 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.758 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.15 -40.35 93.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.719 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.977 ' CD1' HD11 ' A' ' 45' ' ' LEU . 31.2 m-85 -66.09 -36.78 84.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.798 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.45 -40.91 92.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.519 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -96.44 6.93 47.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.686 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.034 HD12 ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -95.84 99.79 11.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 0.0 110.709 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.7 t0 -66.87 132.63 48.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.787 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.579 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 86.63 8.35 77.11 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.67 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 1.034 ' CD1' HD12 ' A' ' 40' ' ' LEU . 95.5 m95 -116.95 139.49 50.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.813 0.339 . . . . 0.0 110.248 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 67.3 m-85 -135.08 147.89 49.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.973 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.977 HD11 ' CD1' ' A' ' 37' ' ' PHE . 94.0 mt -120.36 139.8 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.655 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 40.3 t -120.38 128.68 53.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.355 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.5 p -66.42 -36.63 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.761 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.05 -45.42 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.851 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.624 ' O ' ' C ' ' A' ' 50' ' ' ASP . 23.2 pttp -117.14 39.48 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.771 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.624 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.4 t0 -3.3 74.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.62 0.575 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 49' ' ' LYS . 94.0 p -153.18 163.53 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.711 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.921 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -125.01 149.45 47.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.728 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.2 p90 -149.81 160.72 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.654 ' CE ' ' CZ ' ' A' ' 56' ' ' PHE . 26.3 ttpt -133.21 129.85 38.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.053 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.559 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 59.5 p30 -106.1 138.57 42.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.965 0.412 . . . . 0.0 111.025 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.654 ' CZ ' ' CE ' ' A' ' 54' ' ' LYS . 90.0 m-85 -102.31 -0.65 32.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.252 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.36 -9.8 76.35 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 99.4 mttt -114.62 -28.75 7.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 110.44 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 1.135 ' CE2' HD21 ' A' ' 111' ' ' LEU . 53.2 p90 -155.0 161.27 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.527 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.818 ' O ' HD12 ' A' ' 81' ' ' ILE . 88.8 tt0 -112.15 128.9 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.946 0.403 . . . . 0.0 111.158 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.685 HG22 ' HB ' ' A' ' 82' ' ' VAL . 48.1 pt -129.0 138.44 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.841 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.611 ' C ' HD12 ' A' ' 63' ' ' LEU . 17.2 ptm180 -133.73 153.87 51.38 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.999 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.792 HD11 HD12 ' A' ' 84' ' ' ILE . 11.1 mp -115.25 151.71 34.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.883 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.2 p -143.14 161.85 37.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.939 0.399 . . . . 0.0 110.899 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.508 ' ND2' ' HE3' ' A' ' 88' ' ' LYS . 10.6 t-20 -61.05 -164.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.956 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -61.14 -24.31 66.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.432 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 C--N 1.33 -0.279 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.063 179.517 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 1.8 mpt_? -118.35 160.22 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.606 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.682 HD11 ' O ' ' A' ' 115' ' ' ARG . 0.3 OUTLIER -56.07 151.23 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.105 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 60' ' ' GLU . 10.8 tp -125.43 140.85 47.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.977 0.417 . . . . 0.0 110.592 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.924 HG22 ' CD1' ' A' ' 117' ' ' ILE . 60.4 t -121.02 125.66 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.483 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.555 ' HB2' ' OD1' ' A' ' 118' ' ' ASN . 98.5 m-20 -99.91 117.11 33.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.793 HG12 ' HB3' ' A' ' 119' ' ' ALA . 83.4 mt -117.76 127.11 75.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.084 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -112.23 128.61 56.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.202 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.682 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -160.18 152.67 20.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.0 m -71.62 149.35 45.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.247 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' HE3' ' ND2' ' A' ' 65' ' ' ASN . 98.3 mttt -62.1 -39.93 94.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.491 HD13 ' HG2' ' A' ' 29' ' ' GLU . 62.3 tp -62.43 -42.22 99.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.404 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -99.55 15.54 26.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.565 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.661 ' O ' HG22 ' A' ' 94' ' ' ILE . 91.3 t80 -58.33 -48.43 80.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.621 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 95' ' ' ILE . 56.3 t -61.34 -42.83 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.114 0.483 . . . . 0.0 110.181 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.29 -40.83 97.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.297 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.682 HG12 ' HB2' ' A' ' 86' ' ' ALA . 4.1 tp -64.32 -35.91 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 92' ' ' VAL . 21.2 pt -76.94 -29.17 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.927 -178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 78.4 mm-40 -63.04 -43.58 98.26 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.7 m-20 -91.35 -34.76 14.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.817 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.655 ' HE2' ' HB2' ' A' ' 119' ' ' ALA . 28.9 tptp -64.06 -44.46 92.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.264 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 95' ' ' ILE . 2.3 mp -61.31 -41.65 97.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.754 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.73 -39.77 92.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.571 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 48.6 mmtm -63.28 -39.36 94.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.006 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.582 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -73.24 -41.13 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.48 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.813 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.5 mm -62.0 -46.45 96.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.69 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.37 -43.3 91.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.987 0.422 . . . . 0.0 110.578 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.5 mtpt -63.39 -40.77 98.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.131 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.813 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.3 tt -67.71 -31.0 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.706 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -62.16 -47.22 85.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.982 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.614 ' C ' HD23 ' A' ' 109' ' ' LEU . 58.7 mtmt -73.33 -39.3 65.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.152 0.501 . . . . 0.0 110.207 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.054 HD12 ' OH ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -157.14 142.56 17.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.433 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.45 142.79 58.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.653 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 1.135 HD21 ' CE2' ' A' ' 59' ' ' TYR . 1.4 pp -76.44 -11.76 59.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.351 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 113' ' ' LYS . 59.9 p30 -71.71 -13.22 61.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.551 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.411 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 98.3 mttt -64.71 -38.65 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.214 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 1.054 ' OH ' HD12 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -84.46 126.7 33.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.193 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.682 ' O ' HD11 ' A' ' 80' ' ' LEU . 60.6 ttt85 -62.77 -44.92 94.94 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.266 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.588 ' CE1' ' HG2' ' A' ' 115' ' ' ARG . 98.2 m-85 -129.87 126.11 37.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.939 HG22 ' HB3' ' A' ' 128' ' ' CYS . 37.8 pt -129.9 150.65 34.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.555 ' OD1' ' HB2' ' A' ' 83' ' ' ASN . 44.2 t30 -148.8 137.41 21.25 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.707 -178.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.793 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -109.94 150.2 28.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.648 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.599 HG21 ' CE1' ' A' ' 124' ' ' HIS . 57.9 p -127.02 161.51 28.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -42.75 151.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 1.072 HD12 ' N ' ' A' ' 123' ' ' GLU . 2.4 pp -46.51 -42.0 14.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.914 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 1.072 ' N ' HD12 ' A' ' 122' ' ' LEU . 88.7 tt0 -66.17 -36.26 82.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.08 0.467 . . . . 0.0 109.826 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.599 ' CE1' HG21 ' A' ' 120' ' ' THR . 62.8 t-80 -76.97 164.47 25.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.199 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.516 ' N ' ' ND1' ' A' ' 124' ' ' HIS . 98.3 m-20 -97.51 151.08 20.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.876 0.37 . . . . 0.0 110.367 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.922 ' O ' HG23 ' A' ' 139' ' ' VAL . 15.7 tt -115.13 141.94 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.836 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.519 ' HB2' ' CE ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -150.8 154.24 36.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.939 ' HB3' HG22 ' A' ' 117' ' ' ILE . 71.8 m -129.66 152.31 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.56 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.495 ' O ' ' HB3' ' A' ' 114' ' ' TYR . 98.4 m-85 -117.86 137.12 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.267 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.619 ' CE1' ' HG3' ' A' ' 136' ' ' LYS . 52.4 m-85 -63.82 -40.13 95.89 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.118 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.491 ' HD2' ' C ' ' A' ' 130' ' ' TYR . 14.7 mptt -117.36 7.21 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.978 0.418 . . . . 0.0 110.397 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.475 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.55 -13.53 66.35 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.526 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 86.9 t80 -162.5 116.23 1.75 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.548 ' HG2' ' N ' ' A' ' 135' ' ' THR . 65.2 tttp 174.02 164.47 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.199 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.548 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 82.2 p -69.05 -17.88 63.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.619 ' HG3' ' CE1' ' A' ' 130' ' ' TYR . 60.1 tptt -94.64 117.68 30.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.105 0.479 . . . . 0.0 110.808 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.519 ' CE ' ' HB2' ' A' ' 127' ' ' LYS . 22.2 ptmt -150.72 158.99 44.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.38 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 127' ' ' LYS . 79.4 mm-40 -113.26 141.89 46.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.579 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.953 ' O ' HD13 ' A' ' 140' ' ' ILE . 11.3 p -138.5 141.62 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.953 HD13 ' O ' ' A' ' 139' ' ' VAL . 25.1 mm . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.516 HH21 ' CB ' ' A' ' 27' ' ' ALA . 7.6 tpm_? . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.846 0.355 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -59.99 -42.31 93.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -62.57 -41.05 98.69 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.222 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.516 ' CB ' HH21 ' A' ' 24' ' ' ARG . . . -62.46 -40.69 97.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -62.36 -41.18 98.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.414 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.576 ' CB ' ' NZ ' ' A' ' 88' ' ' LYS . 78.3 mm-40 -62.87 -39.26 93.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.576 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.49 ' SD ' ' HD2' ' A' ' 88' ' ' LYS . 96.1 mmm -61.97 -41.44 98.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.5 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.3 -41.71 98.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.948 0.404 . . . . 0.0 109.952 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -63.49 -42.12 98.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.26 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' O ' ' HD1' ' A' ' 37' ' ' PHE . 62.2 tp -60.93 -44.41 97.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.393 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.79 -40.77 96.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.301 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -60.38 -41.87 94.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.711 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.726 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.48 -41.06 93.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.68 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.124 ' CG ' HD11 ' A' ' 45' ' ' LEU . 40.4 m-85 -67.62 -34.8 77.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.841 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.1 -41.08 91.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.225 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -93.92 3.24 55.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.398 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.726 HD23 ' O ' ' A' ' 36' ' ' ALA . 1.1 mm? -103.08 93.74 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.74 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.487 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 98.8 m-20 -63.89 140.0 58.83 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.197 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 82.3 4.62 90.12 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.973 ' CH2' HG23 ' A' ' 95' ' ' ILE . 68.3 m95 -117.95 126.14 51.78 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 80.8 m-85 -139.49 148.85 43.24 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.61 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.124 HD11 ' CG ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -127.86 151.43 49.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.115 179.281 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.8 p -120.09 131.44 55.07 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.567 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -64.02 -43.31 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.498 ' HE3' ' HG3' ' A' ' 49' ' ' LYS . 67.5 ttp -60.5 -45.79 92.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.343 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.626 ' O ' ' C ' ' A' ' 50' ' ' ASP . 99.7 mttt -113.25 38.4 2.88 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.007 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 66.9 t0 -2.24 72.83 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.597 0.561 . . . . 0.0 111.197 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.1 t -149.1 148.94 30.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.431 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.96 141.96 40.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 51.9 p90 -146.55 160.12 42.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.611 ' HE2' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -145.48 149.42 34.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.893 0.378 . . . . 0.0 110.853 -179.735 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -115.06 110.38 19.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.267 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.592 ' CE1' ' HG3' ' A' ' 54' ' ' LYS . 96.8 m-85 -89.82 -7.8 53.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.331 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.6 -9.71 76.82 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -115.16 -36.22 4.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.939 0.4 . . . . 0.0 110.493 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.643 ' CE2' HD11 ' A' ' 106' ' ' ILE . 52.3 p90 -156.84 161.18 39.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.437 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -108.61 129.56 55.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.942 0.401 . . . . 0.0 111.076 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.77 HG22 ' HB ' ' A' ' 82' ' ' VAL . 45.9 pt -126.23 138.92 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.84 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 83' ' ' ASN . 41.3 ptt180 -122.35 152.3 40.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.951 0.405 . . . . 0.0 110.895 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.095 HD22 ' CE1' ' A' ' 91' ' ' PHE . 1.1 tt -110.08 131.33 55.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.921 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.755 ' N ' HD23 ' A' ' 63' ' ' LEU . 47.1 t -146.82 152.21 38.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.528 ' O ' ' O ' ' A' ' 64' ' ' SER . 52.3 t30 -55.4 -144.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.766 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.437 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 31.0 p80 -58.2 -28.29 64.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.711 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.559 ' O ' ' OG ' ' A' ' 64' ' ' SER . 91.8 p . . . . . 0 C--N 1.328 -0.334 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.266 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.463 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.591 ' NH2' ' OD2' ' A' ' 112' ' ' ASP . 30.9 mmm180 -130.14 157.98 40.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.321 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.762 HD11 ' O ' ' A' ' 114' ' ' TYR . 2.6 mm? -56.41 141.54 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.764 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.0 mt -116.95 124.36 72.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.667 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.828 HG13 HG22 ' A' ' 117' ' ' ILE . 89.4 t -122.63 127.24 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.229 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.522 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 53.4 p30 -113.88 153.08 29.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.562 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.792 ' HA ' ' HB3' ' A' ' 119' ' ' ALA . 89.6 mt -124.66 128.27 73.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.74 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 64' ' ' SER . 58.4 mtmt -101.77 120.32 40.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.34 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.85 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -158.9 155.75 28.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.1 p -71.35 161.31 31.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.576 ' NZ ' ' CB ' ' A' ' 29' ' ' GLU . 29.4 ttpp -60.86 -42.97 98.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.592 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.604 HD23 ' OD1' ' A' ' 90' ' ' ASN . 9.9 tt -62.69 -42.8 99.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.34 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.604 ' OD1' HD23 ' A' ' 89' ' ' LEU . 98.6 m-20 -101.07 16.43 25.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.324 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 1.095 ' CE1' HD22 ' A' ' 63' ' ' LEU . 78.1 t80 -58.26 -49.46 77.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.594 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.663 ' HA ' HD12 ' A' ' 95' ' ' ILE . 9.8 p -70.34 -33.61 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.962 0.411 . . . . 0.0 109.997 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -61.81 -42.22 98.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.61 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.85 HG12 ' HB2' ' A' ' 86' ' ' ALA . 4.3 tp -60.04 -29.72 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.038 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.973 HG23 ' CH2' ' A' ' 43' ' ' TRP . 88.0 mt -60.76 -46.45 96.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.263 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.548 ' OE2' ' OD2' ' A' ' 100' ' ' ASP . 15.8 tm-20 -63.82 -46.47 84.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.808 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.938 HD22 HD21 ' A' ' 122' ' ' LEU . 99.0 m-20 -70.52 -41.74 72.19 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.765 ' HG2' HG23 ' A' ' 84' ' ' ILE . 14.0 mptt -74.16 -41.25 61.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.308 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.757 HD13 HD11 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -61.42 -42.59 98.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.076 0.465 . . . . 0.0 109.946 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.548 ' OD2' ' OE2' ' A' ' 96' ' ' GLU . 98.9 m-20 -63.5 -39.26 93.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.6 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 33.6 mmtp -64.75 -39.53 93.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.71 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.757 HD11 HD13 ' A' ' 99' ' ' LEU . 43.1 pt -73.15 -36.07 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.886 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 99' ' ' LEU . 28.4 mm -62.13 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.091 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.06 -42.18 98.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.331 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.852 ' HD2' HD11 ' A' ' 109' ' ' LEU . 17.9 tppt? -60.43 -45.21 94.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.159 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.643 HD11 ' CE2' ' A' ' 59' ' ' TYR . 78.5 mt -61.58 -44.25 98.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.495 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.69 -39.84 89.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.332 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.658 ' HB2' HD23 ' A' ' 109' ' ' LEU . 75.5 mmtt -84.26 -34.04 23.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.038 0.447 . . . . 0.0 109.904 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.852 HD11 ' HD2' ' A' ' 105' ' ' LYS . 1.0 OUTLIER -157.19 138.64 13.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.21 179.607 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.72 140.46 58.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.858 0.361 . . . . 0.0 111.01 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.58 HD12 HD11 ' A' ' 106' ' ' ILE . 95.4 mt -70.15 -22.63 62.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.945 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.591 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 98.5 m-20 -61.35 -22.61 65.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.403 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -64.04 -39.48 94.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.172 0.511 . . . . 0.0 109.983 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.762 ' O ' HD11 ' A' ' 80' ' ' LEU . 83.4 m-85 -77.91 151.96 33.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.107 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.734 ' CA ' HD11 ' A' ' 80' ' ' LEU . 41.6 mmt180 -105.62 -25.86 12.09 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.75 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.643 ' C ' HD12 ' A' ' 117' ' ' ILE . 90.4 t80 -144.81 127.08 15.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.954 0.407 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.828 HG22 HG13 ' A' ' 82' ' ' VAL . 1.2 mp -131.09 135.45 59.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.44 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.54 ' O ' HG13 ' A' ' 126' ' ' ILE . 65.4 t30 -135.14 110.74 9.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.976 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.792 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -84.04 149.36 26.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.49 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.563 ' O ' ' O ' ' A' ' 121' ' ' ASN . 70.7 p -129.21 161.32 30.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.593 ' ND2' ' OE1' ' A' ' 123' ' ' GLU . 54.0 t30 -41.95 174.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.599 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.938 HD21 HD22 ' A' ' 97' ' ' ASN . 88.3 mt -61.24 -40.24 93.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.766 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.593 ' OE1' ' ND2' ' A' ' 121' ' ' ASN . 60.3 mp0 -66.47 -34.73 78.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 109.882 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.544 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 64.3 m170 -88.28 154.18 20.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.526 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.43 164.39 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 1.112 ' O ' HG23 ' A' ' 139' ' ' VAL . 20.7 tt -109.67 141.3 25.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.771 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.558 ' HB2' ' CE ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -129.49 152.94 48.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.098 0.475 . . . . 0.0 111.342 -179.144 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.641 ' SG ' HG13 ' A' ' 117' ' ' ILE . 84.2 m -123.82 148.16 46.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.26 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.415 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.7 m-85 -117.25 134.7 54.49 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.519 ' O ' ' HG2' ' A' ' 115' ' ' ARG . 83.5 m-85 -64.05 -41.33 97.43 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.121 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.455 ' HA ' ' HG3' ' A' ' 115' ' ' ARG . 75.5 mmtt -111.99 5.21 18.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.423 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.578 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 91.93 -14.37 64.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 84.2 t80 -162.4 115.37 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 39.4 ttmt 174.58 164.89 0.24 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.888 0.375 . . . . 0.0 110.591 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.523 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 96.1 m -66.52 -40.08 88.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.143 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.472 ' O ' ' HD1' ' A' ' 130' ' ' TYR . 75.6 mmtt -75.73 118.88 19.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.302 0.572 . . . . 0.0 111.114 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.558 ' CE ' ' HB2' ' A' ' 127' ' ' LYS . 22.0 ptmt -151.35 158.42 43.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.152 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.589 ' CD ' ' NZ ' ' A' ' 105' ' ' LYS . 88.6 tt0 -120.3 131.37 54.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 0.0 110.446 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 1.112 HG23 ' O ' ' A' ' 126' ' ' ILE . 8.0 p -131.51 140.83 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.688 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.451 HD11 ' HE2' ' A' ' 105' ' ' LYS . 86.8 mt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.584 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 . . . . . 0 C--O 1.232 0.141 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -64.54 -41.44 96.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.159 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.486 ' CE1' ' NZ ' ' A' ' 88' ' ' LYS . 89.6 t80 -59.89 -48.4 81.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.503 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.4 94.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.521 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -62.2 -41.66 98.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.771 ' OE1' HD22 ' A' ' 89' ' ' LEU . 54.1 tp10 -61.97 -41.97 98.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.563 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.597 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 28.1 ttt -60.5 -44.79 95.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.573 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.53 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 98.5 m-20 -60.85 -38.48 85.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.507 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.59 ' NH1' ' CD1' ' A' ' 89' ' ' LEU . 79.8 ttt180 -59.84 -37.16 78.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.765 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.93 -39.21 84.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.334 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.597 ' OE1' ' O ' ' A' ' 30' ' ' MET . 53.3 mp0 -61.9 -39.94 93.72 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.104 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -60.97 -44.2 97.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.27 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.796 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.53 -39.15 89.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.525 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 76.7 t80 -57.99 -47.13 83.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.464 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.94 -39.26 81.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.776 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.23 8.18 43.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.191 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.869 HD12 ' CD1' ' A' ' 43' ' ' TRP . 1.7 mm? -113.03 86.82 2.45 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.911 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.565 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 59.4 p30 -67.9 141.05 56.51 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.22 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.45 6.99 88.8 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.651 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.869 ' CD1' HD12 ' A' ' 40' ' ' LEU . 99.7 m95 -118.4 140.75 49.37 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.692 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.666 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 79.8 m-85 -136.96 147.27 46.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.098 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.797 HD21 ' HB2' ' A' ' 52' ' ' ALA . 88.2 mt -116.87 141.88 47.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 68.9 m -115.68 129.03 56.33 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.368 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 t -65.91 -42.96 89.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.53 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.3 ptp -61.25 -29.7 70.0 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.959 0.409 . . . . 0.0 110.599 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.613 ' O ' ' C ' ' A' ' 50' ' ' ASP . 26.0 pttm -140.25 54.46 1.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.363 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.613 ' C ' ' O ' ' A' ' 49' ' ' LYS . 38.9 t0 -17.81 86.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.986 0.422 . . . . 0.0 110.263 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.5 t -148.39 147.07 28.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.947 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.954 ' HB3' ' HZ ' ' A' ' 91' ' ' PHE . . . -112.42 144.33 42.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.233 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.666 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.1 p90 -148.97 160.49 43.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.989 0.423 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.612 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . 87.3 tttt -131.5 133.83 45.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.873 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -107.35 128.75 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.69 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.573 ' HZ ' ' HZ3' ' A' ' 54' ' ' LYS . 27.4 m-85 -104.5 -14.11 15.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.58 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.99 -9.71 77.08 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 14.4 mptt -115.39 -31.92 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 0.0 110.162 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.909 ' CD2' HD22 ' A' ' 111' ' ' LEU . 51.8 p90 -152.51 159.85 43.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.331 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.552 ' HB2' ' NE ' ' A' ' 79' ' ' ARG . 88.9 tt0 -103.41 128.89 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.107 0.48 . . . . 0.0 111.458 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.623 HG21 ' HE1' ' A' ' 59' ' ' TYR . 44.1 pt -126.81 135.18 64.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.784 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.799 ' C ' HD12 ' A' ' 63' ' ' LEU . 9.9 ptp85 -142.32 157.53 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.49 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 63' ' ' LEU . 3.5 mp -119.73 144.47 47.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.902 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.1 p -147.87 163.75 35.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.008 0.432 . . . . 0.0 110.904 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.543 ' ND2' ' ND1' ' A' ' 66' ' ' HIS . 48.7 t30 -57.82 -161.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.607 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.543 ' ND1' ' ND2' ' A' ' 65' ' ' ASN . 53.3 p-80 -62.48 -19.91 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.617 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.355 179.821 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.535 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.552 ' NE ' ' HB2' ' A' ' 60' ' ' GLU . 41.5 ptt180 -134.99 161.17 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.755 0.312 . . . . 0.0 110.474 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.832 HD11 ' CA ' ' A' ' 115' ' ' ARG . 3.9 mm? -59.58 143.93 48.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.594 HG23 HH22 ' A' ' 62' ' ' ARG . 50.9 mm -116.8 126.54 74.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.862 HG13 ' CG2' ' A' ' 117' ' ' ILE . 78.0 t -118.42 124.33 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.759 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -106.75 112.04 24.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.389 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.759 HD13 ' HB3' ' A' ' 98' ' ' LYS . 87.5 mt -106.09 125.31 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.942 0.401 . . . . 0.0 110.738 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -103.14 131.77 49.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.275 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.85 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -155.11 153.67 31.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.729 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 91' ' ' PHE . 69.8 m -68.83 149.72 48.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.36 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.556 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 62.2 mtpt -61.7 -40.4 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.546 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.771 HD22 ' OE1' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -64.56 -42.25 95.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.62 18.43 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.302 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.954 ' HZ ' ' HB3' ' A' ' 52' ' ' ALA . 93.1 t80 -58.32 -49.04 78.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.028 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.516 ' HA ' HD12 ' A' ' 95' ' ' ILE . 9.0 p -66.8 -37.3 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.159 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.438 ' N ' HG13 ' A' ' 92' ' ' VAL . 98.5 m-20 -62.39 -39.63 93.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.785 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.85 HG12 ' HB2' ' A' ' 86' ' ' ALA . 3.8 tp -63.29 -29.43 47.21 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.418 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.527 HG22 HD12 ' A' ' 99' ' ' LEU . 77.2 mt -61.57 -44.32 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.41 -47.46 86.0 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.379 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 34.7 m120 -75.18 -40.81 59.13 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.759 ' HB3' HD13 ' A' ' 84' ' ' ILE . 74.5 mmtt -65.78 -41.76 91.63 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.966 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.866 HD21 ' HZ2' ' A' ' 43' ' ' TRP . 74.8 mt -63.34 -40.22 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.326 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.56 -39.78 94.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.732 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.8 mmtt -63.54 -39.27 93.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.212 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.584 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.29 -43.18 31.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.759 -179.286 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.793 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.8 mm -61.75 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.39 -43.43 94.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.993 0.425 . . . . 0.0 110.569 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.4 mtpt -63.14 -40.83 98.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.172 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.793 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.0 tt -70.09 -30.5 44.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.662 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.77 -39.94 93.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -73.12 -38.22 66.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.153 0.501 . . . . 0.0 109.848 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.657 ' O ' HD12 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -156.98 149.62 23.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.691 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.41 148.87 51.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.909 HD22 ' CD2' ' A' ' 59' ' ' TYR . 8.5 mp -68.41 -7.21 29.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.289 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.516 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 98.4 m-20 -60.54 -36.19 77.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.452 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.553 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 68.4 mttm -63.78 -39.05 93.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.386 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.807 ' O ' HD21 ' A' ' 80' ' ' LEU . 52.2 m-85 -76.08 146.11 39.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.485 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.832 ' CA ' HD11 ' A' ' 80' ' ' LEU . 10.6 mpt_? -113.87 -33.41 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.71 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.584 ' C ' HD12 ' A' ' 117' ' ' ILE . 87.3 t80 -139.23 126.55 21.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.01 0.433 . . . . 0.0 110.796 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.862 ' CG2' HG13 ' A' ' 82' ' ' VAL . 1.3 mp -126.87 137.31 58.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.26 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.534 ' O ' HG13 ' A' ' 126' ' ' ILE . 67.2 t30 -138.38 111.22 7.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.69 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -95.6 146.08 24.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.739 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.594 ' O ' ' NZ ' ' A' ' 98' ' ' LYS . 9.9 m -127.4 160.32 31.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.155 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 124' ' ' HIS . 32.6 m120 -38.41 150.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 123' ' ' GLU . 4.0 pp -46.87 -27.9 1.4 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.734 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.536 ' N ' HD12 ' A' ' 122' ' ' LEU . 99.0 mt-10 -66.08 -33.9 76.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.226 0.536 . . . . 0.0 109.574 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.557 ' HB2' ' CG2' ' A' ' 120' ' ' THR . 78.1 m80 -100.91 164.54 11.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.432 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.35 170.63 8.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.509 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.577 HD12 ' HB2' ' A' ' 119' ' ' ALA . 21.2 tt -108.7 135.47 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.049 0.452 . . . . 0.0 110.217 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.447 ' HG2' ' HB ' ' A' ' 139' ' ' VAL . 60.5 mtpt -124.64 148.08 48.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.363 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 138' ' ' GLU . 31.1 p -136.45 164.51 27.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.865 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.49 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.2 m-85 -117.28 138.71 51.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.063 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.62 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 69.1 t80 -59.87 -48.75 80.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.676 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.62 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 68.8 mttm -115.78 9.79 15.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.565 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.582 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 93.82 -15.95 61.94 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.538 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 82.8 t80 -161.89 115.72 1.87 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 23.4 ttmm 173.13 163.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.452 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.516 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 12.3 t -68.32 -21.83 64.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.981 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -82.83 128.7 34.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.465 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -150.73 158.46 44.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.62 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.601 ' HB3' ' SG ' ' A' ' 128' ' ' CYS . 88.9 tt0 -126.61 129.56 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.526 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 126' ' ' ILE . 11.6 p -139.28 141.68 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.531 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.502 HD13 ' HD2' ' A' ' 101' ' ' LYS . 13.1 tt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.606 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.521 0.2 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.7 -39.71 94.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.454 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.12 -38.71 91.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.74 95.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.475 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.45 -39.78 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.293 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.554 ' HG2' ' CD2' ' A' ' 89' ' ' LEU . 98.3 mt-10 -62.67 -39.33 93.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.403 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.0 mtt -62.35 -40.62 97.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.83 -41.24 97.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.28 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.493 ' HD2' ' HA ' ' A' ' 89' ' ' LEU . 43.6 ttm180 -63.07 -42.14 99.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.28 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.83 -43.28 98.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.498 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.8 -40.3 94.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.083 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -63.09 -39.59 95.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.118 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.917 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.54 -39.31 90.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.68 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.453 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 77.6 t80 -57.89 -47.48 82.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.45 -38.43 84.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.64 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -96.27 14.61 23.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.328 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.917 HD23 ' O ' ' A' ' 36' ' ' ALA . 2.3 mm? -117.98 88.3 2.89 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.769 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 67.5 t0 -67.42 131.7 46.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.079 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 85.63 8.91 79.5 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.029 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.62 ' CZ3' HD13 ' A' ' 63' ' ' LEU . 94.3 m95 -118.8 138.06 52.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.929 0.364 . . . . 0.0 110.793 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.663 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 81.6 m-85 -137.68 146.14 43.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.686 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 51' ' ' SER . 2.7 mp -120.69 142.53 49.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.496 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -120.26 129.32 54.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.679 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.586 ' OG ' ' CE ' ' A' ' 48' ' ' MET . 89.7 p -64.25 -31.18 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.669 ' SD ' ' N ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -62.51 -40.23 96.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.694 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.62 ' O ' ' C ' ' A' ' 50' ' ' ASP . 15.2 ptpt -122.41 39.42 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.604 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.62 ' C ' ' O ' ' A' ' 49' ' ' LYS . 68.1 t0 0.56 69.55 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.44 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 49' ' ' LYS . 97.4 p -154.81 164.19 39.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.665 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -121.49 150.89 40.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.156 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.663 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.1 p90 -145.9 159.76 42.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.187 0.517 . . . . 0.0 111.251 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.828 ' NZ ' HD11 ' A' ' 99' ' ' LEU . 87.3 tttt -133.06 130.86 39.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.457 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 67.0 t0 -109.7 106.22 15.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.673 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.64 ' HE1' HD13 ' A' ' 61' ' ' ILE . 34.3 m-85 -78.31 -14.56 59.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.272 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 92.99 -9.55 75.13 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' C ' ' NH2' ' A' ' 79' ' ' ARG . 2.1 mptp? -114.07 -30.62 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.037 0.446 . . . . 0.0 110.041 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.775 ' OH ' HD11 ' A' ' 106' ' ' ILE . 51.0 p90 -153.08 158.45 41.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.549 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.579 ' OE2' ' NH2' ' A' ' 62' ' ' ARG . 88.8 tt0 -99.9 130.0 46.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.112 0.482 . . . . 0.0 111.397 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.664 HD11 ' HD3' ' A' ' 54' ' ' LYS . 45.4 pt -130.11 138.21 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.038 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.579 ' NH2' ' OE2' ' A' ' 60' ' ' GLU . 10.0 ptp180 -139.83 156.65 46.62 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.464 -0.495 . . . . 0.0 111.296 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.728 HD11 HD12 ' A' ' 84' ' ' ILE . 8.1 mp -113.11 147.78 36.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.171 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 92.9 p -145.77 162.74 36.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.087 0.47 . . . . 0.0 110.892 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.52 HD22 ' NZ ' ' A' ' 88' ' ' LYS . 14.7 t-20 -69.25 -175.82 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.462 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.582 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 56.3 t-80 -58.96 -46.15 88.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.079 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.556 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.617 ' NH2' ' N ' ' A' ' 59' ' ' TYR . 9.6 ptm85 -75.62 159.18 31.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.58 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.931 HD23 ' O ' ' A' ' 114' ' ' TYR . 3.0 tm? -60.54 130.14 45.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.496 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.83 ' N ' HD13 ' A' ' 80' ' ' LEU . 84.9 mt -115.36 124.66 72.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.051 HG13 HG22 ' A' ' 117' ' ' ILE . 88.1 t -118.18 124.79 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.156 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.576 ' OD1' ' CG ' ' A' ' 62' ' ' ARG . 83.6 m-20 -107.26 134.58 50.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.735 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.728 HD12 HD11 ' A' ' 63' ' ' LEU . 85.6 mt -119.78 125.59 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.391 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.582 ' CE ' ' O ' ' A' ' 66' ' ' HIS . 61.8 mtpt -98.28 131.11 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.568 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.982 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -160.09 153.19 21.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 111.164 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.3 t -67.47 146.93 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.325 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.52 ' NZ ' HD22 ' A' ' 65' ' ' ASN . 63.1 mttp -60.5 -40.19 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 110.148 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.554 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 86.9 mt -63.48 -39.42 94.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.107 0.48 . . . . 0.0 109.957 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -104.12 19.26 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.247 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.897 ' O ' HG22 ' A' ' 94' ' ' ILE . 88.0 t80 -58.31 -48.74 79.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.811 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.625 HG23 HD21 ' A' ' 40' ' ' LEU . 7.5 p -66.42 -38.2 81.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 110.399 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 92' ' ' VAL . 98.3 m-20 -62.87 -39.26 93.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.982 HG12 ' HB2' ' A' ' 86' ' ' ALA . 7.8 tp -61.89 -29.99 47.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.934 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.696 HD13 HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -70.82 -29.47 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.795 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.554 ' N ' HG13 ' A' ' 95' ' ' ILE . 88.9 tt0 -64.04 -44.37 92.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.986 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.533 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 27.7 t-20 -85.81 -47.37 9.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.698 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.678 ' HB3' HD13 ' A' ' 84' ' ' ILE . 73.8 mmtt -64.22 -41.28 97.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.521 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.866 ' CD2' HD11 ' A' ' 103' ' ' ILE . 7.5 tt -65.89 -40.75 91.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.22 0.534 . . . . 0.0 110.027 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.451 ' HA ' HD12 ' A' ' 103' ' ' ILE . 61.7 t0 -64.13 -40.4 96.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.584 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 73.4 mmtt -62.92 -40.06 96.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.941 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.615 ' O ' HD12 ' A' ' 106' ' ' ILE . 39.8 pt -72.43 -33.28 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.866 HD11 ' CD2' ' A' ' 99' ' ' LEU . 88.0 mt -62.25 -46.03 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.604 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.2 -42.45 96.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.214 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.846 ' HE2' HD12 ' A' ' 140' ' ' ILE . 98.1 mttt -62.39 -40.51 96.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.711 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.775 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -62.9 -38.14 81.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.965 0.412 . . . . 0.0 111.002 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.9 -41.43 96.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.311 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.577 ' HB2' HD13 ' A' ' 109' ' ' LEU . 63.4 mttp -72.96 -37.79 66.96 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.149 0.499 . . . . 0.0 109.839 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.893 HD13 ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -156.35 178.48 10.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.547 ' H ' ' NZ ' ' A' ' 113' ' ' LYS . 97.7 m-20 -103.33 143.31 32.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.481 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.538 HD13 HG13 ' A' ' 106' ' ' ILE . 8.5 mp -63.75 -12.24 33.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 110.167 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -59.84 -40.88 90.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.573 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.547 ' NZ ' ' H ' ' A' ' 110' ' ' ASP . 37.4 mtmm -64.42 -39.4 93.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.996 0.427 . . . . 0.0 110.66 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.931 ' O ' HD23 ' A' ' 80' ' ' LEU . 92.8 m-85 -72.23 138.98 47.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.661 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.568 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 22.5 tpp180 -86.28 -44.5 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.223 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.617 ' C ' HD12 ' A' ' 117' ' ' ILE . 91.5 t80 -150.87 131.35 13.81 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.178 0.513 . . . . 0.0 111.771 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 1.051 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -128.24 137.96 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.299 178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 66.5 t30 -135.01 113.91 11.94 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.188 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.647 ' HB1' ' HZ2' ' A' ' 98' ' ' LYS . . . -82.75 152.2 25.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.571 ' O ' ' O ' ' A' ' 121' ' ' ASN . 63.9 p -126.77 161.44 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.347 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.571 ' O ' ' O ' ' A' ' 120' ' ' THR . 26.9 m120 -39.55 171.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.743 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.53 -40.33 91.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.37 -34.85 78.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.144 0.497 . . . . 0.0 109.662 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.535 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 79.6 m80 -83.3 157.94 22.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.656 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.531 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.0 m-20 -98.99 168.92 9.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.266 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 139' ' ' VAL . 19.9 tt -108.14 134.26 50.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.986 0.422 . . . . 0.0 110.05 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -119.64 139.42 52.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.629 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.622 ' SG ' HG13 ' A' ' 117' ' ' ILE . 84.3 m -121.53 141.0 51.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.479 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 97.9 m-85 -114.31 132.43 56.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.448 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.592 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 74.1 t80 -60.3 -48.75 80.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.592 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 99.6 mttt -115.65 8.76 15.1 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.394 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.548 ' N ' ' HB3' ' A' ' 115' ' ' ARG . . . 93.45 -15.07 63.83 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 81.6 t80 -162.39 115.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.554 ' HG2' ' N ' ' A' ' 135' ' ' THR . 65.0 tttm 175.39 164.88 0.31 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.49 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.554 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 82.3 p -68.86 -22.34 64.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.594 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 63.8 tttm -93.16 120.53 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.6 pttt -150.33 158.96 44.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.211 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -118.02 146.02 44.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.371 . . . . 0.0 110.699 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.6 p -139.95 142.37 32.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.536 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.846 HD12 ' HE2' ' A' ' 105' ' ' LYS . 89.3 mt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 2.4 mpt_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.505 0.193 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.95 -39.76 93.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.622 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -64.76 -38.56 91.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.38 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.1 92.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.07 -39.91 96.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.341 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' HB3' ' A' ' 89' ' ' LEU . 98.2 mt-10 -62.94 -39.51 94.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.539 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.41 -40.79 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.566 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.97 -40.94 97.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.292 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.578 ' NH1' ' O ' ' A' ' 89' ' ' LEU . 79.8 ttt180 -62.02 -43.1 99.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.474 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' CD1' ' CD2' ' A' ' 91' ' ' PHE . 61.6 tp -60.98 -43.97 98.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.65 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.5 -39.91 95.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -61.08 -44.53 97.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.316 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.943 ' O ' HD13 ' A' ' 40' ' ' LEU . . . -61.57 -39.59 91.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.421 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.656 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 85.1 t80 -57.43 -46.71 83.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.319 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.83 -39.77 82.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.775 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -99.48 11.32 39.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.781 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.943 HD13 ' O ' ' A' ' 36' ' ' ALA . 2.3 mp -105.65 91.69 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.869 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 67.1 t0 -67.24 131.66 46.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.826 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 77.88 21.76 70.61 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.647 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 89.5 m95 -117.58 135.95 53.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.562 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 78.2 m-85 -138.5 146.1 41.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.756 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.656 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 2.8 mp -124.67 144.6 50.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.627 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 t -120.02 129.08 54.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.475 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -64.23 -41.2 97.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.0 mmt -63.09 -40.16 96.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.459 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.617 ' O ' ' C ' ' A' ' 50' ' ' ASP . 58.0 mtmt -114.79 38.88 3.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.253 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.0 t0 -10.36 79.28 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.094 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 49' ' ' LYS . 96.7 p -155.82 163.79 39.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.665 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.603 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -114.83 140.56 48.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.426 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.3 p90 -151.99 163.93 38.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.526 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.721 ' HD2' HD11 ' A' ' 61' ' ' ILE . 19.5 ptpt -137.1 155.95 48.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.7 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -108.01 102.97 12.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.299 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.616 ' CE1' ' HD3' ' A' ' 54' ' ' LYS . 1.6 m-30 -81.66 -16.1 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.231 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.79 -12.23 70.33 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.559 ' NZ ' ' OD2' ' A' ' 110' ' ' ASP . 63.4 mtpt -115.66 -33.2 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 0.0 110.124 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 1.052 ' CZ ' HD12 ' A' ' 111' ' ' LEU . 42.1 p90 -156.6 160.7 39.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.241 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.561 ' O ' ' O ' ' A' ' 80' ' ' LEU . 88.6 tt0 -113.13 130.6 56.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.963 0.411 . . . . 0.0 111.11 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.721 HD11 ' HD2' ' A' ' 54' ' ' LYS . 44.8 pt -123.5 138.0 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.479 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.611 ' O ' HD12 ' A' ' 84' ' ' ILE . 8.9 ptm180 -139.67 157.35 45.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.458 . . . . 0.0 110.982 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.89 ' N ' HD12 ' A' ' 63' ' ' LEU . 1.8 mp -111.09 148.22 33.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.061 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 93.8 p -147.52 170.61 17.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 -179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 65' ' ' ASN . 53.0 p30 -76.62 -168.86 1.09 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.138 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 74.2 m80 -59.64 -39.62 84.97 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.088 179.254 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.515 ' C ' ' HD3' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.515 ' HD3' ' C ' ' A' ' 78' ' ' GLY . 1.9 mpp_? -127.12 161.8 27.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 110.231 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 114' ' ' TYR . 97.8 mt -59.94 145.09 47.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.953 0.406 . . . . 0.0 110.65 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 88.5 mt -121.32 127.32 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.386 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.059 HG22 ' HB ' ' A' ' 117' ' ' ILE . 85.3 t -112.71 119.0 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.763 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.566 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 50.1 t30 -95.41 107.35 19.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.633 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.917 HG13 ' HB3' ' A' ' 119' ' ' ALA . 3.6 mp -109.12 118.58 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.237 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 64' ' ' SER . 99.7 mttt -85.15 129.64 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.633 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.471 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -159.61 156.04 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.648 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.479 ' HB2' ' OD1' ' A' ' 90' ' ' ASN . 68.9 m -68.83 149.33 49.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.4 ' HG2' ' HB3' ' A' ' 29' ' ' GLU . 25.2 ttmm -60.49 -42.49 96.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.526 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.578 ' O ' ' NH1' ' A' ' 32' ' ' ARG . 3.3 pp -73.98 -20.32 60.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.466 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.482 ' ND2' ' CD1' ' A' ' 89' ' ' LEU . 34.3 m120 -101.65 11.67 38.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.779 ' CE1' HD22 ' A' ' 63' ' ' LEU . 91.7 t80 -59.3 -48.74 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.792 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 95' ' ' ILE . 57.2 t -62.36 -44.9 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.6 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -61.22 -42.88 99.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.991 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 91' ' ' PHE . 4.6 tp -61.74 -28.55 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.461 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 92' ' ' VAL . 87.9 mt -60.39 -45.21 96.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.302 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.554 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 53.3 mp0 -62.28 -43.7 98.22 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.348 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.563 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 29.6 t-20 -72.61 -48.99 35.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.928 0.394 . . . . 0.0 111.631 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.694 ' HD3' HG21 ' A' ' 84' ' ' ILE . 29.2 ttpp -64.24 -43.23 95.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.432 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.836 ' O ' HD23 ' A' ' 99' ' ' LEU . 2.5 tt -59.51 -42.69 92.79 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.38 -39.14 93.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.822 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.1 mmtp -64.24 -39.71 94.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.786 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 99' ' ' LEU . 42.9 pt -72.82 -39.32 59.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.912 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.584 HG12 HD23 ' A' ' 99' ' ' LEU . 32.6 mm -63.05 -47.51 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.536 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.559 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 43.8 tt0 -63.54 -43.47 97.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.527 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.813 ' HD2' HD21 ' A' ' 111' ' ' LEU . 40.9 ttmt -61.77 -43.93 97.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.766 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 1.029 HD11 ' OH ' ' A' ' 59' ' ' TYR . 78.8 mt -61.45 -43.31 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.458 . . . . 0.0 112.202 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.99 -41.45 92.09 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.464 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.58 ' C ' HD23 ' A' ' 109' ' ' LEU . 38.3 mtmm -91.5 -26.89 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.657 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.842 HD13 ' OH ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -157.11 116.04 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.322 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.559 ' OD2' ' NZ ' ' A' ' 58' ' ' LYS . 57.0 t0 -62.98 139.52 58.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 1.052 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 87.2 mt -61.71 -38.13 86.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.16 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 80' ' ' LEU . 64.8 t0 -50.6 -23.31 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.08 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 33.0 mmtp -65.63 -38.05 88.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.94 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.842 ' OH ' HD13 ' A' ' 109' ' ' LEU . 53.4 m-85 -86.94 120.85 28.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.372 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.518 ' HD2' ' O ' ' A' ' 131' ' ' LYS . 43.3 ttm180 -63.9 -41.97 97.56 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.394 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.476 ' C ' HG13 ' A' ' 117' ' ' ILE . 78.3 t80 -130.0 127.44 40.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 1.059 ' HB ' HG22 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -132.51 141.65 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.625 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.566 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 53.9 t-20 -148.81 111.57 4.8 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.58 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.917 ' HB3' HG13 ' A' ' 84' ' ' ILE . . . -83.61 155.25 23.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.549 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 47.3 p -126.7 161.58 27.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.276 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.569 ' O ' ' O ' ' A' ' 120' ' ' THR . 22.6 m120 -39.97 171.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.571 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.65 -40.13 90.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.523 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.6 -34.78 78.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.025 0.441 . . . . 0.0 109.899 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.527 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 99.0 m-70 -84.1 159.82 21.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.638 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.577 ' O ' ' OG1' ' A' ' 120' ' ' THR . 15.7 t0 -98.83 170.65 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.204 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 139' ' ' VAL . 18.6 tt -108.32 132.5 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.453 . . . . 0.0 110.305 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -120.57 139.02 53.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.848 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.859 ' SG ' HG23 ' A' ' 117' ' ' ILE . 69.0 m -127.7 147.8 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.361 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.471 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 77.9 m-85 -117.28 135.36 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.6 t80 -59.75 -49.4 77.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.768 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.518 ' O ' ' HD2' ' A' ' 115' ' ' ARG . 11.5 ptmm? -118.11 14.34 14.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.442 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.471 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.04 -12.69 68.36 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.8 t80 -162.01 116.16 1.87 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 56.6 tptt 174.36 160.44 0.18 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.475 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.52 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 82.8 p -69.15 -18.02 63.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.11 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.476 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 24.0 tptm -91.34 120.01 31.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.689 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.2 pttt -150.55 158.96 44.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.216 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.61 ' OE1' ' CE2' ' A' ' 114' ' ' TYR . 51.4 mp0 -120.38 133.71 55.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.317 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.574 ' CG1' ' OD2' ' A' ' 125' ' ' ASP . 86.2 t -126.86 128.73 71.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.567 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 62.6 ttm-85 . . . . . 0 C--O 1.231 0.114 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.574 ' OE2' ' CG ' ' A' ' 29' ' ' GLU . 16.5 tm-20 -64.73 -40.5 95.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.994 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -59.78 -48.41 81.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.536 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.8 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 30.7 mm100 -63.03 -39.68 95.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.334 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.574 ' CG ' ' OE2' ' A' ' 25' ' ' GLU . 78.5 mm-40 -62.54 -39.53 93.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.466 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.5 tpp -60.66 -45.47 94.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.326 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.528 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 98.4 m-20 -61.84 -39.98 93.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.259 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HD3' ' C ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -61.31 -42.11 98.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 179.648 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.675 HD11 ' CD2' ' A' ' 91' ' ' PHE . 4.2 tt -60.38 -45.37 93.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.03 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.49 -41.77 94.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.676 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.571 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -61.03 -37.99 84.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.923 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.35 -39.93 88.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.57 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.122 ' CG ' HD11 ' A' ' 45' ' ' LEU . 65.4 m-85 -64.44 -37.57 87.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.31 -38.86 88.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.347 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -98.1 8.45 44.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.751 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.923 HD23 ' O ' ' A' ' 36' ' ' ALA . 1.4 mm? -106.06 110.25 22.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.631 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.26 128.76 37.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.836 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 82.15 13.55 78.84 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 121.133 -0.556 . . . . 0.0 111.742 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.647 ' HZ2' HD21 ' A' ' 99' ' ' LEU . 90.3 m95 -118.11 128.52 54.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.959 0.409 . . . . 0.0 110.986 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 86.7 m-85 -140.52 151.08 44.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.683 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.122 HD11 ' CG ' ' A' ' 37' ' ' PHE . 2.6 mp -119.26 141.04 49.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 69.9 m -115.46 128.47 56.04 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.268 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -65.47 -45.06 85.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.679 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.4 ttp -59.23 -45.79 90.22 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.389 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -122.04 61.16 0.96 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.868 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.583 ' C ' ' O ' ' A' ' 49' ' ' LYS . 65.6 m-20 -24.88 90.01 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.233 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 49' ' ' LYS . 92.8 p -152.38 165.28 35.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.763 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.522 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -108.64 138.22 45.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.633 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.668 ' CZ ' ' OE2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -107.24 137.47 45.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.839 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.626 ' CE ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -135.38 96.6 3.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.245 179.275 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -98.25 105.92 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.352 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.692 ' HE1' HD11 ' A' ' 61' ' ' ILE . 89.5 m-85 -90.94 -8.36 49.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.03 0.443 . . . . 0.0 110.268 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.45 -10.74 73.53 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -115.38 -28.77 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.938 0.399 . . . . 0.0 110.404 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.88 ' CB ' HD21 ' A' ' 111' ' ' LEU . 52.5 p90 -155.79 161.89 40.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.575 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.668 ' OE2' ' CZ ' ' A' ' 53' ' ' TYR . 89.2 tt0 -113.33 123.76 50.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.732 HG23 ' HD1' ' A' ' 59' ' ' TYR . 47.4 pt -132.08 137.39 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.224 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.654 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 18.3 ptp180 -140.19 159.07 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.496 ' CB ' ' HE1' ' A' ' 91' ' ' PHE . 9.2 mp -105.44 153.29 21.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.345 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.53 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 94.3 p -148.8 163.46 37.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.067 0.461 . . . . 0.0 110.785 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.604 ' OD1' ' N ' ' A' ' 66' ' ' HIS . 16.3 t-20 -65.28 173.05 2.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.752 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.637 ' CD2' ' ND2' ' A' ' 121' ' ' ASN . 73.2 m80 -61.04 -38.93 87.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.039 179.243 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.443 ' C ' ' HD3' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' HD3' ' C ' ' A' ' 78' ' ' GLY . 0.7 OUTLIER -125.91 158.93 33.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 110.605 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.803 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.9 OUTLIER -56.42 147.21 22.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.0 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.2 127.44 74.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.588 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.921 HG22 ' CD1' ' A' ' 117' ' ' ILE . 50.6 t -116.25 121.65 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.805 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.574 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 64.9 t30 -97.03 108.91 21.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.71 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.793 HG12 ' HB3' ' A' ' 119' ' ' ALA . 84.4 mt -108.3 119.67 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.276 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 64' ' ' SER . 64.2 mttp -87.81 129.47 35.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.95 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.664 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -161.65 145.64 12.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.404 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.8 p -73.26 159.15 33.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.214 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.407 ' HE2' HD22 ' A' ' 65' ' ' ASN . 1.8 mptp? -63.15 -40.6 98.02 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.498 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.617 HD23 ' OD1' ' A' ' 90' ' ' ASN . 9.9 tt -63.88 -43.08 97.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.701 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.617 ' OD1' HD23 ' A' ' 89' ' ' LEU . 98.6 m-20 -99.78 11.79 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.603 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.72 ' O ' HG22 ' A' ' 94' ' ' ILE . 90.2 t80 -58.89 -48.68 80.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.739 ' HA ' HD12 ' A' ' 95' ' ' ILE . 57.6 t -61.93 -44.95 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.496 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -61.03 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.954 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.72 HG22 ' O ' ' A' ' 91' ' ' PHE . 3.9 tp -61.01 -28.59 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.181 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.841 ' O ' HD13 ' A' ' 99' ' ' LEU . 88.4 mt -60.64 -46.55 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.467 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.553 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 60.6 mp0 -63.06 -44.38 95.97 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.78 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.672 HD22 HD21 ' A' ' 122' ' ' LEU . 65.2 t30 -72.37 -46.3 55.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.834 0.349 . . . . 0.0 111.631 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.706 ' HG3' HG21 ' A' ' 84' ' ' ILE . 75.0 mmtt -65.53 -40.3 92.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.981 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.841 HD13 ' O ' ' A' ' 95' ' ' ILE . 9.4 mp -63.84 -43.24 96.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.14 0.495 . . . . 0.0 109.871 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.13 -39.41 94.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.762 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 48.4 mmtm -64.47 -39.47 93.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.587 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 44.2 pt -75.27 -39.22 42.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.091 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.548 ' N ' HG13 ' A' ' 102' ' ' ILE . 28.7 mm -62.04 -44.9 99.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.766 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.08 -42.67 99.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.257 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.864 ' HE2' HD12 ' A' ' 140' ' ' ILE . 98.1 mttt -62.41 -41.5 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.836 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.876 HD11 HD22 ' A' ' 111' ' ' LEU . 33.1 mm -62.97 -45.88 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-O 120.962 0.411 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.88 -42.37 98.98 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.699 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -74.3 -38.86 63.23 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.46 0.647 . . . . 0.0 109.936 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.674 HD13 ' OH ' ' A' ' 114' ' ' TYR . 3.0 pp -157.1 168.19 28.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.845 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.528 ' HB3' ' OD1' ' A' ' 112' ' ' ASP . 97.5 m-20 -85.4 128.34 34.68 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.506 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 1.04 HD23 ' N ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -79.32 -20.62 47.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.048 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 1.04 ' N ' HD23 ' A' ' 111' ' ' LEU . 59.3 p30 -69.14 -13.56 62.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.089 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 30.4 mtpp -64.67 -39.07 93.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.994 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.803 ' O ' HD11 ' A' ' 80' ' ' LEU . 7.9 m-85 -73.02 128.97 37.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.793 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.568 ' CG ' ' HA ' ' A' ' 131' ' ' LYS . 42.2 mmt180 -63.69 -39.6 94.73 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.662 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -146.98 125.13 12.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.995 0.426 . . . . 0.0 111.466 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.921 ' CD1' HG22 ' A' ' 82' ' ' VAL . 30.6 pt -129.67 150.54 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.574 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 63.1 t-20 -147.19 113.5 5.91 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.876 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.793 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.0 152.79 25.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.943 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.65 HG22 ' HB2' ' A' ' 124' ' ' HIS . 6.4 m -124.72 156.33 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 0.0 110.54 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.637 ' ND2' ' CD2' ' A' ' 66' ' ' HIS . 41.0 m-80 -38.28 169.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.597 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.672 HD21 HD22 ' A' ' 97' ' ' ASN . 90.1 mt -61.41 -40.08 93.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.547 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.7 -35.81 81.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.229 0.538 . . . . 0.0 109.593 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.65 ' HB2' HG22 ' A' ' 120' ' ' THR . 99.1 m-70 -86.34 165.15 16.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.294 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 125' ' ' ASP . 54.5 p30 -96.22 172.35 8.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.397 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.585 HD13 ' NZ ' ' A' ' 105' ' ' LYS . 15.2 tt -109.97 133.03 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.71 139.26 52.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.712 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.527 ' HB3' HG22 ' A' ' 117' ' ' ILE . 71.1 m -126.43 146.64 50.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.558 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.519 ' O ' ' HB3' ' A' ' 114' ' ' TYR . 98.4 m-85 -117.27 132.16 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.413 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -60.09 -49.11 78.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.643 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.568 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 17.6 ptmt -117.55 11.84 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.342 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.47 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.2 -12.06 70.29 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.514 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 87.8 t80 -162.37 116.73 1.82 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 133' ' ' PHE . 19.6 mtpt 171.52 165.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.9 0.381 . . . . 0.0 110.842 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 80.4 p -70.22 -22.0 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.435 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -88.57 120.64 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.1 pttt -150.74 158.73 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.537 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.443 ' OE2' ' OH ' ' A' ' 114' ' ' TYR . 99.5 mt-10 -110.25 139.14 45.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.31 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.4 142.27 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.759 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.864 HD12 ' HE2' ' A' ' 105' ' ' LYS . 80.8 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.578 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.529 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 62.7 ttm-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.772 0.32 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.98 -41.8 97.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.945 0.402 . . . . 0.0 110.008 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.89 -49.07 79.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.238 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.29 95.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.54 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 98.7 mm-40 -63.54 -39.87 95.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.685 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.58 ' OE1' ' NH2' ' A' ' 32' ' ' ARG . 54.2 tp10 -61.23 -44.02 97.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.275 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.1 ttt -61.9 -44.57 96.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.566 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 66.1 t0 -60.86 -48.73 80.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.079 0.466 . . . . 0.0 110.484 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.58 ' NH2' ' OE1' ' A' ' 29' ' ' GLU . 60.6 ttp180 -62.6 -45.21 93.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.87 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' HG ' ' HE1' ' A' ' 37' ' ' PHE . 60.4 tp -62.67 -45.29 93.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.633 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.5 pt-20 -65.02 -28.41 69.48 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.006 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 62.0 mtpt -63.22 -39.53 94.9 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.543 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.89 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.13 -41.12 96.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.357 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.022 ' CD2' HD11 ' A' ' 45' ' ' LEU . 84.7 m-85 -65.35 -38.84 91.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.597 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.23 -38.65 90.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -95.41 6.53 48.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.89 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -102.33 98.29 8.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.619 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.567 ' OD1' ' O ' ' A' ' 41' ' ' ASP . 58.5 p30 -67.57 141.78 56.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.524 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.559 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 82.51 2.46 90.62 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.112 -0.566 . . . . 0.0 111.718 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.662 ' HZ2' HD21 ' A' ' 99' ' ' LEU . 94.3 m95 -117.83 135.12 54.29 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.526 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 74.4 m-85 -138.32 146.42 42.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.022 HD11 ' CD2' ' A' ' 37' ' ' PHE . 2.9 mp -126.3 148.14 49.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.515 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.9 p -119.08 135.65 54.54 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.4 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.5 m -67.55 -40.77 84.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.353 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.31 -40.63 96.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.533 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.607 ' O ' ' N ' ' A' ' 51' ' ' SER . 30.1 mmmt -121.51 49.57 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.072 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.3 m-20 -18.39 84.63 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.811 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.8 t -152.48 149.94 29.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.715 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.591 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -108.82 138.03 45.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.474 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.9 p90 -151.55 160.58 43.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.687 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.74 ' HZ3' ' HE1' ' A' ' 56' ' ' PHE . 21.3 ttpp -132.91 131.93 41.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.988 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -100.42 105.59 17.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.333 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.74 ' HE1' ' HZ3' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -89.01 -12.25 41.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.999 0.428 . . . . 0.0 110.354 179.1 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.48 -10.1 75.52 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.493 ' HE2' ' OD2' ' A' ' 112' ' ' ASP . 16.8 tptm -109.05 -40.23 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.02 0.438 . . . . 0.0 109.916 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.613 ' HE1' HG21 ' A' ' 61' ' ' ILE . 52.8 p90 -153.73 161.14 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.4 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -107.43 129.97 54.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 111.16 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.697 HG22 ' HB ' ' A' ' 82' ' ' VAL . 49.4 pt -129.22 137.88 55.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.151 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.587 ' NH2' ' OG ' ' A' ' 51' ' ' SER . 17.8 ptm180 -140.02 157.53 45.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.017 0.437 . . . . 0.0 111.176 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 95' ' ' ILE . 8.3 mp -112.56 152.79 28.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.277 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.5 p -148.16 164.26 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.755 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -62.96 -163.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.497 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -59.1 -46.62 87.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.267 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.329 -0.317 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.317 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.466 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.523 0.566 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 78' ' ' GLY . 31.1 mmm180 -133.54 156.35 47.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.322 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.77 HD11 ' CA ' ' A' ' 115' ' ' ARG . 2.5 mm? -56.57 137.98 52.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.548 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.5 mt -118.64 125.88 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.91 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.966 HG13 HG22 ' A' ' 117' ' ' ILE . 84.5 t -121.42 124.61 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.058 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.534 HD22 ' CG ' ' A' ' 62' ' ' ARG . 32.5 m120 -108.6 136.58 47.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.863 ' HA ' ' HB3' ' A' ' 119' ' ' ALA . 86.6 mt -118.34 126.92 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.486 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -101.54 123.67 45.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.608 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.033 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -160.16 151.05 18.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.505 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.4 p -71.73 160.42 32.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.264 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.35 -40.68 97.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.307 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.55 ' CD2' ' NH2' ' A' ' 32' ' ' ARG . 88.2 mt -64.21 -39.37 93.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.324 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.53 13.42 34.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.756 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CE2' ' CZ ' ' A' ' 37' ' ' PHE . 83.9 t80 -58.77 -49.1 78.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.769 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 95' ' ' ILE . 71.9 t -62.7 -45.61 98.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.264 0.554 . . . . 0.0 110.618 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.38 -39.77 95.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.125 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.033 HG12 ' HB2' ' A' ' 86' ' ' ALA . 6.1 tp -64.05 -36.34 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.4 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.702 HG22 HD21 ' A' ' 63' ' ' LEU . 40.4 pt -78.55 -26.99 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.789 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -62.12 -47.04 86.37 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.631 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.54 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 63.4 t30 -88.44 -38.75 14.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.696 ' HG2' HD13 ' A' ' 84' ' ' ILE . 17.8 tppt? -64.27 -43.01 96.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.335 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.662 HD21 ' HZ2' ' A' ' 43' ' ' TRP . 89.4 mt -62.48 -40.36 96.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.557 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.09 -38.91 93.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.573 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.2 mmtp -64.15 -39.91 95.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.594 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.573 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 43.7 pt -74.53 -39.92 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.705 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.548 ' N ' HG13 ' A' ' 102' ' ' ILE . 91.9 mt -62.76 -46.12 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.045 0.45 . . . . 0.0 110.161 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.581 ' HG3' ' NZ ' ' A' ' 108' ' ' LYS . 54.4 tp10 -63.07 -42.5 99.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.722 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.569 ' NZ ' ' CD ' ' A' ' 138' ' ' GLU . 25.2 ttmm -60.63 -43.0 98.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.833 ' CG1' HD13 ' A' ' 111' ' ' LEU . 76.8 mt -60.79 -42.75 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.826 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -58.8 -48.84 79.86 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.128 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.581 ' NZ ' ' HG3' ' A' ' 104' ' ' GLU . 37.7 mtmm -73.89 -37.16 64.78 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.568 ' O ' ' O ' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -155.37 126.96 7.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.172 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.03 144.94 56.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.833 HD13 ' CG1' ' A' ' 106' ' ' ILE . 7.9 mp -65.2 -11.91 45.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.073 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.493 ' OD2' ' HE2' ' A' ' 58' ' ' LYS . 98.4 m-20 -61.84 -27.53 68.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.566 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 98.0 mttt -64.02 -39.35 93.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.133 0.492 . . . . 0.0 109.924 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.742 ' O ' HD11 ' A' ' 80' ' ' LEU . 87.4 m-85 -80.98 153.73 27.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.35 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.77 ' CA ' HD11 ' A' ' 80' ' ' LEU . 10.7 mpt_? -107.96 -28.3 9.67 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.653 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.653 ' C ' HD12 ' A' ' 117' ' ' ILE . 90.8 t80 -143.08 125.74 15.92 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.052 0.454 . . . . 0.0 111.228 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.966 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -130.89 138.35 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.939 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -135.14 111.49 9.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.979 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.863 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -83.48 148.84 27.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.477 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.659 HG22 ' HB2' ' A' ' 124' ' ' HIS . 26.4 m -129.49 156.44 44.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.066 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 124' ' ' HIS . 63.7 t30 -37.4 148.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.087 0.47 . . . . 0.0 111.283 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 123' ' ' GLU . 3.4 pp -46.77 -31.85 3.27 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.229 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.531 ' N ' HD12 ' A' ' 122' ' ' LEU . 98.9 mt-10 -65.72 -33.63 76.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.659 ' HB2' HG22 ' A' ' 120' ' ' THR . 78.8 m80 -96.46 165.09 12.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.292 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -97.76 170.25 9.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.478 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.996 ' O ' HG23 ' A' ' 139' ' ' VAL . 20.2 tt -108.81 139.98 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.214 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.566 ' HD3' ' NZ ' ' A' ' 137' ' ' LYS . 98.4 mttt -119.8 138.33 53.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.754 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.621 ' SG ' HG13 ' A' ' 117' ' ' ILE . 82.4 m -125.47 145.31 50.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.751 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.481 ' C ' ' HD2' ' A' ' 114' ' ' TYR . 98.6 m-85 -117.81 134.58 54.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.165 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.544 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 83.7 m-85 -63.64 -41.94 98.2 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.992 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.596 ' HE3' ' HZ1' ' A' ' 134' ' ' LYS . 99.6 mttt -117.24 8.84 13.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.017 0.436 . . . . 0.0 110.345 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.509 ' HA2' ' HB3' ' A' ' 116' ' ' PHE . . . 91.79 -13.34 67.04 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 83.5 t80 -162.35 116.09 1.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.596 ' HZ1' ' HE3' ' A' ' 131' ' ' LYS . 39.6 ttmt 174.65 161.21 0.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.831 0.348 . . . . 0.0 110.613 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.506 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 11.8 t -68.23 -13.58 62.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.171 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.497 ' O ' ' HD1' ' A' ' 130' ' ' TYR . 99.7 mttt -96.83 118.39 33.16 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.422 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.566 ' NZ ' ' HD3' ' A' ' 127' ' ' LYS . 20.8 ptmt -151.25 158.4 43.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.541 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.569 ' CD ' ' NZ ' ' A' ' 105' ' ' LYS . 88.8 tt0 -119.86 129.86 54.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.459 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.3 p -135.83 141.47 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.69 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.685 HD12 ' CG2' ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.574 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.628 0.252 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 54.2 tp10 -61.63 -46.28 90.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 110.738 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -80.39 -28.42 37.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.636 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.52 98.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.72 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 20.9 pt20 -70.8 -30.48 66.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.965 0.412 . . . . 0.0 110.239 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.643 ' O ' HD13 ' A' ' 33' ' ' LEU . 78.7 mm-40 -63.43 -38.58 91.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.58 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 98.4 mtp -61.23 -39.12 89.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 98.4 m-20 -60.3 -40.91 92.2 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.494 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.548 ' HD3' ' O ' ' A' ' 28' ' ' GLN . 12.5 mpt_? -64.5 -41.65 96.32 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.615 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 29' ' ' GLU . 11.0 mp -64.35 -45.54 87.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.7 pt-20 -65.87 -29.21 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.591 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.51 -46.3 90.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.398 . . . . 0.0 110.053 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.743 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -62.88 -40.21 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.701 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.193 ' CG ' HD11 ' A' ' 45' ' ' LEU . 65.1 m-85 -64.33 -36.67 84.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.575 ' OE1' ' ND2' ' A' ' 39' ' ' ASN . 16.7 tm-20 -60.06 -39.89 87.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.575 ' ND2' ' OE1' ' A' ' 38' ' ' GLU . 34.2 m120 -96.94 6.64 48.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.454 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -104.16 94.55 5.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 98.8 m-20 -64.4 140.51 58.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.032 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 81.1 9.21 86.45 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.667 ' CZ3' ' NZ ' ' A' ' 54' ' ' LYS . 76.0 m95 -117.65 133.91 55.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.667 0.27 . . . . 0.0 110.275 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 78.9 m-85 -140.0 148.69 42.23 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.356 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.193 HD11 ' CG ' ' A' ' 37' ' ' PHE . 2.7 mp -123.44 143.37 50.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.258 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.9 p -120.48 137.83 54.14 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.713 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.6 p -70.28 -35.61 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.078 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.53 -46.28 90.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.292 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.634 ' O ' ' C ' ' A' ' 50' ' ' ASP . 58.1 mtmt -117.8 38.56 3.6 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.901 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.0 m-20 0.8 69.51 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.504 0.503 . . . . 0.0 111.049 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.602 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.6 t -150.02 152.18 34.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.581 ' HB1' ' CE2' ' A' ' 37' ' ' PHE . . . -108.39 144.18 36.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.443 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.4 p90 -147.5 161.45 41.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.344 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.766 ' NZ ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -143.61 149.26 37.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -114.34 125.51 53.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.778 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.603 ' CE1' ' HG3' ' A' ' 54' ' ' LYS . 96.4 m-85 -104.71 -5.48 21.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 110.153 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.08 -9.38 74.99 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.587 ' NZ ' ' H ' ' A' ' 112' ' ' ASP . 66.0 tttm -113.35 -41.82 3.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 110.537 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.73 ' CE2' HD12 ' A' ' 111' ' ' LEU . 54.8 p90 -150.59 160.52 43.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.643 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 88.7 tt0 -109.93 130.34 55.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 111.226 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.593 HG23 ' CD1' ' A' ' 59' ' ' TYR . 48.5 pt -127.64 138.89 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.242 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.547 ' O ' HD12 ' A' ' 63' ' ' LEU . 10.5 ptm85 -132.55 156.21 47.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.03 0.443 . . . . 0.0 110.883 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.071 HD11 HD12 ' A' ' 84' ' ' ILE . 7.4 mp -116.67 149.38 39.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.559 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.0 p -149.39 163.06 38.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.573 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -72.42 -162.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.517 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -58.72 -47.01 86.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.06 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--N 1.327 -0.375 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.214 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.589 ' NH2' ' OD2' ' A' ' 112' ' ' ASP . 29.6 mmm180 -83.03 157.88 22.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.327 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.969 HD23 ' O ' ' A' ' 114' ' ' TYR . 2.2 tm? -58.84 129.16 40.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.978 0.418 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.906 ' N ' HD13 ' A' ' 80' ' ' LEU . 87.2 mt -116.8 127.71 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.541 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.985 HG13 HG22 ' A' ' 117' ' ' ILE . 85.7 t -112.31 120.23 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -96.71 108.66 21.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.289 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.071 HD12 HD11 ' A' ' 63' ' ' LEU . 83.3 mt -99.54 122.97 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.999 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.39 120.33 40.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.395 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.587 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -159.47 153.4 23.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.507 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.0 m -69.79 147.92 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.25 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.565 ' HB2' HD21 ' A' ' 33' ' ' LEU . 18.9 ptpt -60.72 -28.14 68.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.532 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.56 -42.86 98.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.436 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -105.13 20.81 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.735 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.871 ' CE1' HD23 ' A' ' 63' ' ' LEU . 90.7 t80 -58.19 -48.35 80.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.765 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 67.3 t -61.42 -45.38 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.191 0.519 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.31 -39.6 91.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.012 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.827 HG22 ' O ' ' A' ' 91' ' ' PHE . 4.9 tp -61.6 -28.4 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.818 0.342 . . . . 0.0 110.173 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.66 HD12 ' CH2' ' A' ' 43' ' ' TRP . 33.7 mm -60.66 -47.17 94.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.684 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 100' ' ' ASP . 97.0 mt-10 -65.7 -43.86 87.88 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.96 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.82 HD22 HD21 ' A' ' 122' ' ' LEU . 99.0 m-20 -70.54 -39.5 73.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.697 ' NZ ' HG11 ' A' ' 82' ' ' VAL . 5.9 tmtt? -82.43 -49.75 9.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 0.0 111.496 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.094 HD22 HD11 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -59.4 -40.01 85.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.39 -178.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.568 ' CG ' ' O ' ' A' ' 96' ' ' GLU . 99.2 m-20 -62.2 -38.64 89.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.802 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.998 ' HD2' HG21 ' A' ' 140' ' ' ILE . 75.1 mmtt -64.33 -39.67 94.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 1.094 HD11 HD22 ' A' ' 99' ' ' LEU . 42.1 pt -73.6 -34.68 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.554 HG12 ' CD1' ' A' ' 99' ' ' LEU . 28.8 mm -62.31 -44.66 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 110.212 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.494 ' O ' ' HE2' ' A' ' 108' ' ' LYS . 88.9 tt0 -63.12 -41.89 99.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.861 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.541 ' O ' HD23 ' A' ' 109' ' ' LEU . 73.9 mmtt -62.37 -40.18 95.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.266 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.604 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 76.0 mt -61.7 -46.31 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.353 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.85 -43.98 97.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.951 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.494 ' HE2' ' O ' ' A' ' 104' ' ' GLU . 1.2 mppt? -83.26 -30.49 27.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.106 0.479 . . . . 0.0 110.373 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.693 HD11 ' HE1' ' A' ' 114' ' ' TYR . 1.1 pt? -150.11 177.25 10.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.764 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.536 ' HB2' ' HG2' ' A' ' 113' ' ' LYS . 98.4 m-20 -102.33 132.03 48.56 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.159 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.73 HD12 ' CE2' ' A' ' 59' ' ' TYR . 89.1 mt -63.82 -35.42 80.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.311 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.589 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 98.7 m-20 -59.97 -18.37 45.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.61 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.536 ' HG2' ' HB2' ' A' ' 110' ' ' ASP . 73.2 mmtt -63.96 -39.2 93.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.123 0.487 . . . . 0.0 109.973 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.969 ' O ' HD23 ' A' ' 80' ' ' LEU . 56.9 m-85 -79.45 147.05 32.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.162 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.582 ' C ' ' CD2' ' A' ' 80' ' ' LEU . 41.5 mmt180 -104.04 -21.8 13.54 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.68 ' C ' HD12 ' A' ' 117' ' ' ILE . 87.8 t80 -145.99 125.31 13.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.108 0.48 . . . . 0.0 111.411 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.985 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -133.36 139.78 48.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.707 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.519 ' O ' ' HB ' ' A' ' 126' ' ' ILE . 66.7 t30 -133.45 113.03 12.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.888 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.032 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -82.26 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.171 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.543 ' H ' HG22 ' A' ' 126' ' ' ILE . 62.6 p -126.57 161.39 28.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.513 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.581 ' O ' ' O ' ' A' ' 124' ' ' HIS . 99.2 m-20 -47.82 173.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.42 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.82 HD21 HD22 ' A' ' 97' ' ' ASN . 89.5 mt -60.5 -39.15 86.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.418 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.0 -35.0 79.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.405 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.581 ' O ' ' O ' ' A' ' 121' ' ' ASN . 79.9 m80 -100.83 151.11 22.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.442 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.3 m-20 -99.51 168.87 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.585 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.921 HD13 ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -108.67 168.36 3.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.24 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.515 ' NZ ' ' OH ' ' A' ' 129' ' ' TYR . 0.3 OUTLIER -144.0 154.53 43.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.135 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.653 ' SG ' ' CG1' ' A' ' 117' ' ' ILE . 83.6 m -121.55 147.59 45.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.714 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.56 ' CD1' ' HD2' ' A' ' 116' ' ' PHE . 97.3 m-85 -116.03 134.74 54.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.005 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.601 ' CD2' ' HD3' ' A' ' 131' ' ' LYS . 74.3 t80 -60.27 -48.18 82.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.578 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.601 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 0.1 OUTLIER -117.32 10.76 13.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.408 . . . . 0.0 110.42 179.37 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.542 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 91.16 -12.42 69.23 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.527 ' O ' ' HG2' ' A' ' 134' ' ' LYS . 87.2 t80 -161.75 116.44 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 133' ' ' PHE . 14.5 mmtt 171.44 164.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.887 0.375 . . . . 0.0 110.777 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.4 t -68.98 -21.06 64.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.531 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -91.05 118.46 30.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 26.3 pttm -150.99 159.18 44.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.421 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.507 ' HG3' ' OH ' ' A' ' 114' ' ' TYR . 79.7 mm-40 -113.13 145.34 41.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.384 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 11.4 p -136.74 140.91 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.674 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.998 HG21 ' HD2' ' A' ' 101' ' ' LYS . 84.8 mt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.072 -0.965 . . . . 0.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 61.1 ttp180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.732 0.301 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 79.2 mm-40 -66.61 -40.42 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.044 0.45 . . . . 0.0 110.399 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.67 -47.5 85.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.579 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.553 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -62.25 -40.31 95.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.583 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 98.5 mm-40 -63.02 -39.44 94.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.602 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.732 ' O ' HD13 ' A' ' 33' ' ' LEU . 78.7 mm-40 -63.37 -39.43 94.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.15 -47.95 83.76 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.869 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.583 ' OD1' ' O ' ' A' ' 28' ' ' GLN . 6.9 p-10 -70.05 -34.64 73.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.491 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.496 HH21 ' CB ' ' A' ' 35' ' ' LYS . 8.9 tpm_? -61.3 -46.06 91.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.739 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 29' ' ' GLU . 9.0 mp -63.98 -44.26 93.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.736 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.3 pt-20 -64.01 -34.94 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.037 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 98.1 mttt -64.31 -40.49 96.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.993 0.425 . . . . 0.0 110.349 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.925 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -62.68 -40.62 97.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.0 ' CD1' HD11 ' A' ' 45' ' ' LEU . 72.1 m-85 -64.85 -38.34 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.535 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.22 -41.3 96.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.369 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -92.98 10.07 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.449 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -102.7 95.31 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.526 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.08 140.74 58.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.715 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.563 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.97 2.46 90.57 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.605 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 93.7 m95 -118.91 139.58 51.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.926 0.393 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 81.6 m-85 -137.41 149.53 46.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.948 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.0 HD11 ' CD1' ' A' ' 37' ' ' PHE . 90.2 mt -112.3 141.52 45.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.433 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.3 t -114.98 128.61 56.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.395 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.6 m -65.1 -40.86 95.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.205 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.18 -46.18 89.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.941 0.4 . . . . 0.0 109.995 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.63 ' O ' ' N ' ' A' ' 51' ' ' SER . 38.4 ttpt -121.89 61.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.636 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.553 ' C ' ' O ' ' A' ' 49' ' ' LYS . 99.2 m-20 -24.4 85.8 0.0 OUTLIER 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.82 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.1 p -159.07 163.7 36.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.471 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.815 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -117.27 145.23 44.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.514 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.537 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 52.2 p90 -149.03 160.21 43.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.876 0.369 . . . . 0.0 110.719 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.605 ' HE3' ' CE2' ' A' ' 43' ' ' TRP . 41.5 ttmt -116.07 129.83 56.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.173 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -90.98 99.63 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.629 ' CD2' ' OH ' ' A' ' 59' ' ' TYR . 0.6 OUTLIER -84.64 -20.03 31.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.295 179.216 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.72 -11.18 72.84 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' O ' ' NE ' ' A' ' 79' ' ' ARG . 57.2 mtmt -115.24 -30.43 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.116 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.803 ' CZ ' HD22 ' A' ' 111' ' ' LEU . 55.3 p90 -156.3 161.67 40.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.11 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 88.9 tt0 -114.87 128.69 56.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 111.109 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.571 HG23 ' CD1' ' A' ' 59' ' ' TYR . 47.3 pt -127.42 137.76 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.158 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.712 HH12 HG21 ' A' ' 81' ' ' ILE . 10.8 ptp85 -139.81 158.28 44.35 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.164 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.553 HD11 HD13 ' A' ' 84' ' ' ILE . 10.2 mp -110.93 149.5 30.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.103 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 91.4 p -147.33 163.06 37.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.783 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.569 ' ND2' ' ND1' ' A' ' 66' ' ' HIS . 51.3 t30 -56.77 -163.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.557 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.569 ' ND1' ' ND2' ' A' ' 65' ' ' ASN . 53.8 p-80 -62.69 -19.82 64.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.265 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.9 p . . . . . 0 C--N 1.329 -0.284 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.894 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.442 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 78' ' ' GLY . 30.4 mmm180 -126.25 156.54 40.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.464 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.039 HD12 ' O ' ' A' ' 111' ' ' LEU . 3.0 tt -56.97 128.37 36.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.628 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.02 ' N ' HD23 ' A' ' 80' ' ' LEU . 87.9 mt -119.18 124.83 73.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.28 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.03 HG13 HG22 ' A' ' 117' ' ' ILE . 97.2 t -118.18 124.5 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.381 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.517 ' OD1' ' HG2' ' A' ' 62' ' ' ARG . 98.2 m-20 -110.91 135.18 51.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.237 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.595 ' HA ' ' HB3' ' A' ' 119' ' ' ALA . 2.5 mp -119.82 126.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.803 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.551 ' O ' ' OD1' ' A' ' 121' ' ' ASN . 37.7 mtmm -99.69 128.18 45.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.418 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.533 ' HA ' ' OD1' ' A' ' 121' ' ' ASN . . . -159.28 154.55 25.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.693 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.5 t -63.71 141.93 58.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.283 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HB2' HD21 ' A' ' 33' ' ' LEU . 9.7 ptpp? -58.87 -29.41 66.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.539 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.607 HD23 ' OE1' ' A' ' 29' ' ' GLU . 87.1 mt -64.43 -39.37 93.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.0 0.428 . . . . 0.0 110.187 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -105.29 20.22 19.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.624 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CZ ' ' CZ ' ' A' ' 37' ' ' PHE . 86.7 t80 -58.24 -49.2 77.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.881 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 1.049 ' O ' HG22 ' A' ' 95' ' ' ILE . 59.0 t -62.79 -44.01 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.134 0.492 . . . . 0.0 110.496 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.13 -40.35 93.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.327 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 91' ' ' PHE . 3.9 tp -58.81 -33.37 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.018 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 1.049 HG22 ' O ' ' A' ' 92' ' ' VAL . 15.6 tt -62.71 -36.92 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.535 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.72 -47.84 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.564 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 50.8 t30 -71.77 -45.64 61.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.619 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.59 ' NZ ' ' CD1' ' A' ' 126' ' ' ILE . 58.1 tptt -64.55 -42.9 95.41 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.393 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 95' ' ' ILE . 3.5 mm? -57.57 -42.06 82.32 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.336 -0.545 . . . . 0.0 109.626 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.74 -39.37 93.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.256 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.751 ' HD2' HD13 ' A' ' 140' ' ' ILE . 75.9 mmtt -63.15 -39.0 93.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.032 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.562 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.28 -41.61 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.867 -179.122 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.796 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.0 mm -61.72 -46.53 96.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.173 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.51 -43.44 90.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.042 0.449 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.587 ' CE ' HD11 ' A' ' 140' ' ' ILE . 74.5 mmtt -64.25 -40.49 96.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.32 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.796 HG22 ' O ' ' A' ' 103' ' ' ILE . 20.2 tt -66.46 -32.16 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.71 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.59 -40.39 96.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.028 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -74.35 -39.5 62.74 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.176 0.513 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.159 HD11 ' CE1' ' A' ' 114' ' ' TYR . 1.2 pp -157.68 154.2 27.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.846 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.725 ' O ' HD12 ' A' ' 109' ' ' LEU . 99.3 m-20 -66.16 145.84 55.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.54 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 1.039 ' O ' HD12 ' A' ' 80' ' ' LEU . 7.4 mp -62.91 -39.71 95.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.739 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.56 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 61.8 t0 -51.34 -14.67 0.3 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.569 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.416 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 33.5 mmtp -65.42 -37.18 86.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.3 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 1.159 ' CE1' HD11 ' A' ' 109' ' ' LEU . 70.6 m-85 -96.93 129.47 44.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.852 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.552 ' HD3' ' O ' ' A' ' 131' ' ' LYS . 78.3 ttt-85 -64.73 -43.63 92.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.984 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 118' ' ' ASN . 93.8 t80 -150.31 134.29 16.9 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.161 0.505 . . . . 0.0 111.994 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 1.03 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -126.89 138.31 55.22 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.333 178.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.587 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 66.4 t30 -131.18 112.03 12.46 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.699 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -82.01 153.3 26.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.148 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.584 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 68.0 p -127.92 162.05 27.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.232 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.551 ' OD1' ' O ' ' A' ' 85' ' ' LYS . 87.4 m-20 -52.73 149.92 5.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.169 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 123' ' ' GLU . 2.0 pp -46.17 -30.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.34 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.491 ' N ' HD12 ' A' ' 122' ' ' LEU . 88.7 tt0 -66.45 -35.06 79.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 121' ' ' ASN . 99.1 m-70 -102.21 164.94 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.567 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.584 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.2 m-20 -97.74 165.99 11.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.59 ' CD1' ' NZ ' ' A' ' 98' ' ' LYS . 18.7 tt -108.34 141.35 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.543 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 127' ' ' LYS . 2.2 mmmm -119.0 152.06 37.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.6 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.998 ' SG ' HD11 ' A' ' 117' ' ' ILE . 53.6 t -134.85 128.9 33.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -112.16 136.28 51.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.318 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -60.05 -49.52 77.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.761 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.572 ' HE2' ' CZ ' ' A' ' 133' ' ' PHE . 17.1 ptmt -118.04 19.14 13.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.002 0.43 . . . . 0.0 110.432 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.35 -18.88 55.39 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.572 ' CZ ' ' HE2' ' A' ' 131' ' ' LYS . 52.0 p90 -163.26 128.9 3.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 133' ' ' PHE . 6.1 mmmt 170.57 165.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.566 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.3 p -68.69 -23.04 64.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.843 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -93.8 119.29 32.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.449 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -150.7 158.46 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.592 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.507 ' OE2' ' HD2' ' A' ' 105' ' ' LYS . 88.8 tt0 -112.91 129.44 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.191 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.2 140.85 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 110.764 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.751 HD13 ' HD2' ' A' ' 101' ' ' LYS . 82.9 mt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.735 0.302 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -61.88 -39.95 93.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -65.28 -39.38 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.467 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.99 96.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -62.97 -40.94 99.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.385 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 98.7 mt-10 -63.2 -39.28 94.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.495 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.49 ' SD ' ' C ' ' A' ' 30' ' ' MET . 19.4 tmm? -60.66 -44.55 96.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.548 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.25 -47.15 87.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 110.124 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -61.78 -44.1 97.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.693 HD21 ' CE1' ' A' ' 37' ' ' PHE . 7.8 tt -61.4 -44.53 96.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.468 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.95 -40.96 97.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.564 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.09 -43.74 95.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.702 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.517 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.84 -39.96 91.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.412 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.064 ' CD1' HD11 ' A' ' 45' ' ' LEU . 43.3 m-85 -67.57 -33.45 75.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.991 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.89 -40.77 89.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.318 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -97.78 7.56 46.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.639 HD12 ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -101.13 98.33 8.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.849 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.8 t0 -66.93 134.71 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.769 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 92.19 -1.06 72.91 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.667 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.663 ' CH2' HD11 ' A' ' 63' ' ' LEU . 95.0 m95 -118.36 138.0 52.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.999 0.428 . . . . 0.0 110.942 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -137.68 148.56 45.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.577 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.064 HD11 ' CD1' ' A' ' 37' ' ' PHE . 93.5 mt -118.17 137.95 52.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 70.8 m -119.15 129.7 55.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.098 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.528 ' HA ' ' OD1' ' A' ' 50' ' ' ASP . 92.7 p -67.04 -37.67 84.52 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.083 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.96 -45.27 95.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.622 ' O ' ' C ' ' A' ' 50' ' ' ASP . 24.5 mmmt -118.57 39.57 3.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.369 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.4 m-20 -8.74 77.97 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.617 0.573 . . . . 0.0 110.798 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.8 t -152.74 149.33 28.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.067 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.813 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -111.35 141.87 44.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.351 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' HB2' ' OE2' ' A' ' 60' ' ' GLU . 53.3 p90 -150.31 160.05 44.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.964 0.412 . . . . 0.0 111.179 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.632 ' HE3' ' CE2' ' A' ' 43' ' ' TRP . 41.8 ttmt -119.32 129.98 55.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.957 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -94.79 126.69 40.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.951 0.405 . . . . 0.0 111.269 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.776 ' CD1' ' CZ ' ' A' ' 59' ' ' TYR . 98.1 m-85 -108.92 -14.74 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.879 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.46 -10.87 73.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -115.46 -31.98 5.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.87 0.367 . . . . 0.0 110.357 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.776 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 51.3 p90 -152.57 162.64 40.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.53 ' OE2' ' HB2' ' A' ' 53' ' ' TYR . 16.6 tm-20 -118.41 130.46 55.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.91 0.386 . . . . 0.0 111.051 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.606 HG23 ' CD1' ' A' ' 59' ' ' TYR . 44.8 pt -126.74 137.11 58.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.228 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.508 ' HB3' ' HB3' ' A' ' 53' ' ' TYR . 41.2 ptt180 -140.4 157.68 45.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.434 . . . . 0.0 111.077 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.775 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.1 mp -115.24 149.42 37.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.167 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.6 p -148.42 164.75 33.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.941 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.587 ' OD1' ' NZ ' ' A' ' 88' ' ' LYS . 61.1 t30 -56.82 177.62 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.323 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.493 ' HE2' ' HB3' ' A' ' 87' ' ' SER . 96.1 m-70 -62.0 -38.89 90.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.165 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.454 -0.251 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.66 179.556 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -126.27 157.18 38.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.753 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.2 OUTLIER -55.73 140.62 41.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.499 ' H ' HD13 ' A' ' 80' ' ' LEU . 1.5 mp -107.48 128.42 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.082 0.468 . . . . 0.0 110.991 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.863 HG22 ' CG1' ' A' ' 117' ' ' ILE . 48.0 t -124.46 124.82 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.551 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.545 ' HB2' ' OD1' ' A' ' 118' ' ' ASN . 85.3 m-20 -107.93 126.33 52.56 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.748 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.817 HG12 ' HB3' ' A' ' 119' ' ' ALA . 85.5 mt -117.62 127.69 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.468 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.555 ' HD2' ' O ' ' A' ' 65' ' ' ASN . 49.7 mmtm -95.67 128.92 42.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.646 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.719 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . . . -160.22 147.7 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.773 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.587 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.5 p -73.49 161.78 30.0 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.587 ' NZ ' ' OD1' ' A' ' 65' ' ' ASN . 13.3 mptt -62.44 -41.85 99.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.604 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.85 -40.78 92.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -104.25 13.32 32.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.734 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.607 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 88.1 t80 -59.14 -49.39 78.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.803 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.821 ' HA ' HD12 ' A' ' 95' ' ' ILE . 7.5 p -70.66 -33.49 53.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.588 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.04 -40.17 94.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.719 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 7.1 tt -65.0 -29.12 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.992 0.425 . . . . 0.0 109.955 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.821 HD12 ' HA ' ' A' ' 92' ' ' VAL . 88.9 mt -61.42 -42.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.22 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.16 -45.03 94.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.645 ' ND2' HD21 ' A' ' 122' ' ' LEU . 6.0 p30 -81.56 -41.04 22.18 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.542 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.558 ' CG ' HG12 ' A' ' 94' ' ' ILE . 47.8 mmtm -64.82 -40.12 94.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.979 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 95' ' ' ILE . 8.1 mp -62.81 -42.01 99.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.113 0.482 . . . . 0.0 109.824 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -63.65 -40.8 97.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 74.8 mmtt -63.77 -39.54 94.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.701 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.58 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 44.1 pt -74.18 -38.03 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.937 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 99' ' ' LEU . 28.4 mm -62.49 -44.77 99.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.826 0.346 . . . . 0.0 110.481 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.66 -42.73 99.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.105 0.478 . . . . 0.0 109.916 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.799 ' HE3' HD12 ' A' ' 140' ' ' ILE . 98.1 mttt -62.65 -39.95 95.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.512 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.584 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 77.3 mt -61.63 -47.44 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.69 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.53 -41.41 98.48 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.377 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 108' ' ' LYS . 35.5 mmtp -74.99 -36.61 61.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.306 0.574 . . . . 0.0 109.975 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 2.6 pp -152.95 174.5 14.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.845 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.522 ' HB2' ' HG3' ' A' ' 113' ' ' LYS . 99.3 m-20 -95.87 126.69 41.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.054 0.454 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.54 ' CD1' HG13 ' A' ' 106' ' ' ILE . 90.5 mt -63.57 -38.26 90.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.506 ' OD1' ' HB3' ' A' ' 110' ' ' ASP . 58.9 p30 -60.76 -13.99 18.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.852 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.522 ' HG3' ' HB2' ' A' ' 110' ' ' ASP . 29.5 mtpp -64.61 -38.85 92.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.319 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.753 ' O ' HD11 ' A' ' 80' ' ' LEU . 30.3 m-85 -74.42 125.07 27.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.065 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.56 ' HD3' ' CA ' ' A' ' 131' ' ' LYS . 83.1 mtp180 -63.76 -39.33 94.01 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.117 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -147.93 122.15 9.57 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.994 0.426 . . . . 0.0 111.323 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.863 ' CG1' HG22 ' A' ' 82' ' ' VAL . 29.8 pt -130.77 150.49 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.549 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.545 ' OD1' ' HB2' ' A' ' 83' ' ' ASN . 50.0 t30 -148.73 117.07 6.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.044 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.817 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.64 155.63 23.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.656 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.58 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 70.8 p -127.95 161.42 29.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.989 0.423 . . . . 0.0 110.785 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.517 ' O ' ' O ' ' A' ' 120' ' ' THR . 82.4 m-20 -40.77 167.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.127 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.645 HD21 ' ND2' ' A' ' 97' ' ' ASN . 92.6 mt -60.94 -40.95 95.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.293 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.22 -34.41 77.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.123 0.487 . . . . 0.0 110.045 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.496 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 65.5 m170 -80.3 162.82 24.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.58 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.9 m-20 -98.18 155.56 17.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 1.062 ' O ' HG23 ' A' ' 139' ' ' VAL . 13.7 tt -108.82 135.86 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.028 0.442 . . . . 0.0 110.942 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.585 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 10.2 mptt -124.65 149.93 46.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.557 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.714 ' SG ' ' CG ' ' A' ' 114' ' ' TYR . 52.1 t -133.35 126.29 31.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.482 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -108.4 127.42 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.172 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.511 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 72.6 t80 -59.88 -48.78 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.524 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.56 ' CA ' ' HD3' ' A' ' 115' ' ' ARG . 99.5 mttt -110.93 9.16 22.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.312 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.482 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.15 -12.86 68.52 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -178.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -161.23 116.13 2.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 171.09 165.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.902 0.382 . . . . 0.0 110.769 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 96.0 m -66.76 -40.98 88.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.165 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -71.47 119.0 14.99 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.982 0.42 . . . . 0.0 110.701 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -151.4 158.42 43.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.464 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 128' ' ' CYS . 52.8 tp10 -114.4 126.17 54.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.009 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 1.062 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.1 p -133.97 142.97 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.815 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.799 HD12 ' HE3' ' A' ' 105' ' ' LYS . 93.3 mt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.543 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.495 ' HG2' HE21 ' A' ' 28' ' ' GLN . 79.7 ttt180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.834 0.35 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.33 -41.02 98.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.476 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.705 ' CE2' ' SD ' ' A' ' 30' ' ' MET . 91.0 t80 -59.48 -47.73 84.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.813 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.81 92.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.829 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.495 HE21 ' HG2' ' A' ' 24' ' ' ARG . 77.8 mt-30 -63.53 -39.63 94.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.432 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.672 ' CD ' HD23 ' A' ' 89' ' ' LEU . 54.4 tp10 -61.51 -42.14 98.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.395 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.705 ' SD ' ' CE2' ' A' ' 26' ' ' TYR . 98.4 mtp -62.37 -40.38 96.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.03 -47.88 84.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.06 0.457 . . . . 0.0 110.075 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -61.97 -44.2 97.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.753 HD21 ' CE1' ' A' ' 37' ' ' PHE . 8.8 tt -61.66 -44.47 96.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.617 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.19 -39.04 91.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.22 -44.57 95.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.932 ' HB3' ' HZ ' ' A' ' 91' ' ' PHE . . . -61.46 -41.08 96.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.709 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.98 ' CG ' HD11 ' A' ' 45' ' ' LEU . 46.1 m-85 -66.2 -35.97 81.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.738 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.92 -41.99 92.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.21 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -93.89 10.01 35.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.355 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.861 HD22 ' CD1' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -102.36 86.25 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.646 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.24 140.24 58.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.361 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.564 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 90.25 -8.95 78.93 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.861 ' CD1' HD22 ' A' ' 40' ' ' LEU . 93.6 m95 -117.53 136.49 53.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.892 0.377 . . . . 0.0 110.46 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 71.3 m-85 -137.89 149.04 45.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.742 -179.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.98 HD11 ' CG ' ' A' ' 37' ' ' PHE . 2.7 mp -120.38 144.64 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.739 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -115.46 129.9 56.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.447 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.5 p -65.86 -37.78 87.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.801 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.67 -40.01 95.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.667 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.623 ' O ' ' C ' ' A' ' 50' ' ' ASP . 38.1 mtmm -116.82 38.93 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.623 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.6 p30 -5.87 75.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.658 0.599 . . . . 0.0 111.145 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.3 p -155.37 164.55 38.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.459 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.412 ' CB ' ' CE2' ' A' ' 37' ' ' PHE . . . -117.22 146.55 43.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.156 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.685 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.2 p90 -149.61 160.29 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.121 0.486 . . . . 0.0 111.216 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.684 ' HB3' HD11 ' A' ' 61' ' ' ILE . 65.1 tttp -133.67 132.5 40.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.246 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 67.8 t0 -114.34 108.23 16.64 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.612 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.654 ' HE1' HD13 ' A' ' 61' ' ' ILE . 76.1 m-85 -80.09 -11.96 59.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.049 0.452 . . . . 0.0 110.182 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 93.34 -10.92 72.6 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -109.81 -29.24 8.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.127 0.489 . . . . 0.0 109.993 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.737 ' CE2' HD12 ' A' ' 111' ' ' LEU . 51.3 p90 -155.47 161.28 40.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.329 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.586 ' O ' HD12 ' A' ' 81' ' ' ILE . 89.0 tt0 -105.7 129.83 53.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.215 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.684 HD11 ' HB3' ' A' ' 54' ' ' LYS . 45.7 pt -127.32 138.75 53.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.788 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.628 ' NH2' ' ND2' ' A' ' 83' ' ' ASN . 52.5 ptt85 -136.24 156.02 49.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.074 0.464 . . . . 0.0 111.313 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.795 HD11 HD11 ' A' ' 95' ' ' ILE . 88.4 mt -113.45 140.48 48.06 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.549 ' O ' ' O ' ' A' ' 65' ' ' ASN . 48.5 t -148.2 151.34 35.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.337 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.549 ' O ' ' O ' ' A' ' 64' ' ' SER . 53.1 t30 -54.9 -144.77 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.556 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.446 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 95.6 m-70 -60.72 -39.77 89.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.414 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.204 179.494 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.581 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -129.34 158.78 38.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.748 0.308 . . . . 0.0 110.279 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.904 HD21 ' O ' ' A' ' 114' ' ' TYR . 0.1 OUTLIER -55.83 138.0 49.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.273 -179.779 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.66 ' H ' HD13 ' A' ' 80' ' ' LEU . 9.8 tp -129.34 135.62 61.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.966 ' CG2' HD11 ' A' ' 117' ' ' ILE . 57.2 t -123.0 124.57 70.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.759 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.628 ' ND2' ' NH2' ' A' ' 62' ' ' ARG . 29.2 t-20 -98.07 110.34 22.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.425 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.644 ' CD1' ' HB3' ' A' ' 119' ' ' ALA . 47.2 mm -109.96 122.9 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.803 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -87.98 136.8 32.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.423 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.704 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -150.07 157.22 42.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.524 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.596 ' O ' ' N ' ' A' ' 91' ' ' PHE . 67.1 m -97.88 140.68 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 58.4 mtmt -62.55 -39.3 93.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.672 HD23 ' CD ' ' A' ' 29' ' ' GLU . 89.0 mt -62.9 -39.75 95.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.558 ' ND2' ' HB3' ' A' ' 93' ' ' ASP . 57.0 t30 -127.07 37.8 4.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.806 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.932 ' HZ ' ' HB3' ' A' ' 36' ' ' ALA . 19.3 p90 -66.59 -31.9 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.263 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' ' 93' ' ' ASP . 7.8 p -71.44 -43.71 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.558 ' HB3' ' ND2' ' A' ' 90' ' ' ASN . 67.3 t0 -62.65 -42.04 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.754 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.842 HG22 ' O ' ' A' ' 91' ' ' PHE . 14.2 tt -59.51 -29.3 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.528 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 63' ' ' LEU . 30.7 mm -61.86 -44.29 98.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.0 111.018 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.49 -40.79 97.83 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 31.8 m120 -84.99 -49.89 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.86 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.753 ' NZ ' ' HB1' ' A' ' 119' ' ' ALA . 30.3 mmmt -64.73 -41.0 96.27 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.477 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.587 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 8.5 tt -61.69 -40.16 94.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.066 0.46 . . . . 0.0 109.954 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -60.93 -38.49 86.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.349 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 50.0 mmtm -62.66 -40.02 95.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.071 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.78 ' N ' HD13 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -77.24 -39.63 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -178.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.879 ' O ' HG22 ' A' ' 106' ' ' ILE . 33.3 mm -61.59 -46.08 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.501 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -65.5 -42.48 92.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.051 0.453 . . . . 0.0 110.466 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.5 mtpt -63.47 -40.91 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.251 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.879 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.0 tt -66.3 -28.45 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.77 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.92 -39.71 92.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.609 ' HB2' HD13 ' A' ' 109' ' ' LEU . 58.7 mtmt -73.45 -37.37 65.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.004 0.43 . . . . 0.0 110.056 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.887 HD13 ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -152.1 168.01 26.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.954 -179.811 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -81.55 143.41 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.737 HD12 ' CE2' ' A' ' 59' ' ' TYR . 94.8 mt -67.35 -29.79 69.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.457 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.507 ' HA ' ' HG ' ' A' ' 80' ' ' LEU . 98.5 m-20 -61.95 -19.11 62.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.031 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 109' ' ' LEU . 68.4 mttm -64.47 -38.52 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 110.365 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.904 ' O ' HD21 ' A' ' 80' ' ' LEU . 26.7 m-85 -80.81 118.71 22.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.98 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.549 ' CG ' ' HA ' ' A' ' 131' ' ' LYS . 27.9 mmm180 -63.36 -39.81 95.55 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -150.33 120.87 7.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.876 0.37 . . . . 0.0 111.073 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.966 HD11 ' CG2' ' A' ' 82' ' ' VAL . 31.7 pt -128.66 150.37 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.71 178.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.528 ' OD1' ' HB3' ' A' ' 83' ' ' ASN . 48.4 t30 -148.42 112.35 5.14 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.648 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.753 ' HB1' ' NZ ' ' A' ' 98' ' ' LYS . . . -90.04 156.28 18.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.011 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.578 ' O ' ' O ' ' A' ' 121' ' ' ASN . 69.1 p -124.59 161.51 26.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.578 ' O ' ' O ' ' A' ' 120' ' ' THR . 83.6 m-20 -39.34 170.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.779 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.58 -39.95 89.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.571 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.58 -34.42 77.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.057 0.456 . . . . 0.0 109.79 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.559 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 80.1 m80 -81.3 164.57 22.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.46 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.497 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.8 m-20 -97.58 160.35 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.352 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 139' ' ' VAL . 17.9 tt -108.95 141.92 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.021 0.438 . . . . 0.0 110.81 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.723 ' NZ ' ' CZ ' ' A' ' 129' ' ' TYR . 11.2 ptmm? -135.55 150.33 49.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.657 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.706 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 51.4 t -135.24 129.01 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.98 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.723 ' CZ ' ' NZ ' ' A' ' 127' ' ' LYS . 22.1 m-30 -110.61 129.92 55.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.609 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 71.1 t80 -60.75 -49.15 78.66 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.484 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.609 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 99.5 mttt -116.84 3.82 12.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.92 0.391 . . . . 0.0 110.38 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.459 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.5 -14.94 63.56 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.561 ' O ' ' HB3' ' A' ' 134' ' ' LYS . 87.0 t80 -162.53 115.09 1.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.616 ' N ' ' CE ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER 171.83 166.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.195 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 82.8 p -68.7 -18.06 64.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.379 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.498 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 25.4 ttmm -94.1 117.26 29.85 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.14 0.495 . . . . 0.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -150.81 158.32 44.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.373 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -125.52 129.38 49.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.359 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 126' ' ' ILE . 13.2 p -137.89 142.73 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.693 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.556 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.625 0.25 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.03 -44.15 94.81 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.314 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -67.95 -36.33 79.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.356 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.96 91.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -63.27 -39.73 95.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.263 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.777 ' OE2' HD11 ' A' ' 33' ' ' LEU . 16.7 tm-20 -61.85 -40.42 95.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.189 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 60.7 ttm -60.49 -44.54 95.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.457 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.15 -39.77 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.298 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.86 -38.83 92.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.362 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.777 HD11 ' OE2' ' A' ' 29' ' ' GLU . 87.5 mt -61.86 -39.4 91.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.24 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.3 -39.96 94.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.298 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.41 -40.11 95.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.383 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.869 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.36 -39.89 92.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.3 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.624 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 71.1 t80 -58.58 -48.38 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.286 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.97 -38.23 87.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.428 ' C ' HD22 ' A' ' 40' ' ' LEU . 34.3 m120 -94.53 5.84 50.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 36' ' ' ALA . 3.3 mm? -114.45 103.39 11.0 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.889 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -68.03 128.02 34.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.832 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.547 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 80.22 16.69 75.84 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.061 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.624 ' O ' ' CE1' ' A' ' 37' ' ' PHE . 93.7 m95 -118.43 138.28 52.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.993 0.396 . . . . 0.0 110.799 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.591 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 77.5 m-85 -136.86 144.33 43.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.501 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.745 HD23 ' HA ' ' A' ' 52' ' ' ALA . 92.0 mt -121.2 135.7 55.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.821 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.5 p -120.46 137.23 54.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.393 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.4 p -69.43 -37.08 77.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.99 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.471 ' HE3' ' HG3' ' A' ' 49' ' ' LYS . 67.2 ttp -60.89 -45.64 93.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.634 ' O ' ' C ' ' A' ' 50' ' ' ASP . 69.0 mttm -115.87 38.29 3.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.1 t0 -4.48 75.0 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.611 0.569 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.596 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.0 p -155.25 167.15 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.872 ' HB3' HD13 ' A' ' 63' ' ' LEU . . . -108.49 135.54 49.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.633 ' CD2' ' OE2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -110.16 136.92 48.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.481 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.973 ' HD2' HD11 ' A' ' 61' ' ' ILE . 10.6 ttmt -132.93 120.07 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.642 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.562 ' OD1' ' OE1' ' A' ' 60' ' ' GLU . 98.0 m-20 -104.5 122.66 46.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.758 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CE1' ' HE2' ' A' ' 54' ' ' LYS . 1.4 m-30 -113.14 -13.78 12.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.323 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.18 -10.76 73.1 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.176 -1.169 . . . . 0.0 110.176 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 39.8 ttmt -113.04 -41.55 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.097 0.475 . . . . 0.0 110.045 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.473 ' HA ' ' HD2' ' A' ' 79' ' ' ARG . 53.5 p90 -153.41 160.82 42.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.468 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.633 ' OE2' ' CD2' ' A' ' 53' ' ' TYR . 52.2 tp10 -115.33 131.82 56.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.921 0.391 . . . . 0.0 111.001 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 82' ' ' VAL . 48.8 pt -127.31 136.94 59.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.137 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.628 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 20.4 ptp180 -140.28 159.16 42.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.145 HD22 ' CE1' ' A' ' 91' ' ' PHE . 2.5 mp -111.96 147.4 35.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.931 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.544 ' O ' ' O ' ' A' ' 65' ' ' ASN . 43.0 t -146.76 147.86 31.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.544 ' O ' ' O ' ' A' ' 64' ' ' SER . 50.8 t30 -55.9 -149.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.893 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.453 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 86.6 t60 -59.6 -47.19 86.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.486 179.519 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.557 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 45.7 ptt85 -134.76 161.02 36.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.816 HD22 ' N ' ' A' ' 80' ' ' LEU . 2.5 mm? -77.13 146.64 37.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.783 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.464 HG12 HH12 ' A' ' 79' ' ' ARG . 85.9 mt -119.47 129.69 74.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.847 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.057 HG22 ' HB ' ' A' ' 117' ' ' ILE . 68.2 t -109.96 123.57 65.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.26 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.57 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 98.6 m-20 -106.04 120.02 40.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.748 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.758 ' CG1' ' HB3' ' A' ' 119' ' ' ALA . 3.8 mp -119.7 125.11 74.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.428 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -101.69 130.66 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.591 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -159.56 152.52 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.642 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.552 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 40.4 t -65.45 139.7 58.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.266 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.533 ' HD3' ' OE1' ' A' ' 29' ' ' GLU . 19.3 ptpt -61.42 -28.32 69.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.599 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.712 HD23 ' CG ' ' A' ' 29' ' ' GLU . 88.3 mt -64.09 -39.57 94.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.552 ' OD1' ' O ' ' A' ' 87' ' ' SER . 55.3 p30 -103.33 23.28 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.51 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 1.145 ' CE1' HD22 ' A' ' 63' ' ' LEU . 80.5 t80 -58.78 -49.12 78.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.06 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 1.035 ' O ' HG22 ' A' ' 95' ' ' ILE . 68.3 t -62.06 -47.1 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.12 0.486 . . . . 0.0 110.603 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.05 -39.68 93.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.54 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 91' ' ' PHE . 4.3 tp -64.38 -29.84 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.014 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 1.035 HG22 ' O ' ' A' ' 92' ' ' VAL . 14.4 tt -62.81 -37.29 78.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.103 -178.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.574 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 53.6 mp0 -65.16 -44.53 88.25 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.18 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.573 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 58.8 t-20 -74.91 -44.62 47.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.331 . . . . 0.0 111.476 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.81 ' HZ1' HD11 ' A' ' 63' ' ' LEU . 39.6 ttpt -64.03 -43.54 95.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.034 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.9 mp -56.7 -39.97 74.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.087 0.47 . . . . 0.0 109.905 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.42 -38.47 89.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.61 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.851 ' C ' ' HZ3' ' A' ' 105' ' ' LYS . 32.1 mmmt -61.8 -44.16 97.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.248 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 98' ' ' LYS . 2.0 mm -75.18 -41.21 44.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.707 -178.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.718 ' O ' HG22 ' A' ' 106' ' ' ILE . 32.8 mm -61.89 -45.02 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.636 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.58 -44.63 90.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.721 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.851 ' HZ3' ' C ' ' A' ' 101' ' ' LYS . 37.1 mtmm -63.77 -41.2 98.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.09 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.718 HG22 ' O ' ' A' ' 103' ' ' ILE . 17.5 tt -70.42 -32.68 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.78 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.08 -40.43 95.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.22 -36.64 17.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.472 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 105' ' ' LYS . 1.0 OUTLIER -157.21 144.87 18.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.782 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.48 148.9 49.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.557 HD21 HG23 ' A' ' 102' ' ' ILE . 10.9 mp -71.24 -11.82 61.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.109 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.61 ' HA ' HD23 ' A' ' 80' ' ' LEU . 65.9 t0 -59.56 -34.48 72.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.756 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.544 ' HD2' ' N ' ' A' ' 113' ' ' LYS . 14.1 mptt -64.93 -22.29 66.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.701 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.509 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 53.0 m-85 -97.17 111.73 23.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.491 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.565 ' HB3' ' N ' ' A' ' 132' ' ' GLY . 0.0 OUTLIER -63.16 -43.5 98.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.277 179.77 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.51 ' CE2' ' HB2' ' A' ' 118' ' ' ASN . 93.1 t80 -129.08 126.69 39.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 1.057 ' HB ' HG22 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -127.53 133.08 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.397 179.76 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.57 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 65.6 t30 -146.45 112.13 5.62 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.341 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.758 ' HB3' ' CG1' ' A' ' 84' ' ' ILE . . . -82.43 152.95 25.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.342 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 40.0 p -122.97 161.46 24.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.253 -179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.566 ' O ' ' O ' ' A' ' 120' ' ' THR . 22.1 m120 -40.54 171.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.13 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.53 -40.29 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.141 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.02 -34.62 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.135 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.494 ' C ' ' OG1' ' A' ' 120' ' ' THR . 79.7 m80 -87.98 158.53 18.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.577 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.2 m-20 -99.06 168.82 9.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.517 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.787 ' O ' HG23 ' A' ' 139' ' ' VAL . 17.7 tt -108.04 133.29 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.045 0.45 . . . . 0.0 110.409 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.461 ' HG2' ' HB ' ' A' ' 139' ' ' VAL . 46.0 mttm -128.41 145.36 51.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.695 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 31.5 p -136.99 164.26 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.485 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.8 m-85 -117.73 140.26 49.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.241 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -60.06 -49.26 78.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.728 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -117.63 11.64 13.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.483 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.565 ' N ' ' HB3' ' A' ' 115' ' ' ARG . . . 93.96 -15.28 63.48 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.526 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.5 t80 -161.78 116.17 1.93 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 65.0 tttp 174.21 158.88 0.16 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.328 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.468 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 13.1 t -68.23 -7.49 30.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.606 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.479 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 60.3 tptt -101.75 120.68 40.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.967 0.413 . . . . 0.0 110.778 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -150.69 158.78 44.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.343 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -123.77 143.34 50.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.628 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.5 p -141.07 141.26 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.652 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.771 HG22 ' NZ ' ' A' ' 101' ' ' LYS . 90.2 mt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.608 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.73 0.3 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.19 -40.16 95.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.8 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.36 -49.23 78.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.496 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.81 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.648 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -62.38 -41.81 98.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.842 ' OE2' HD21 ' A' ' 89' ' ' LEU . 98.2 mt-10 -63.12 -40.32 97.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.4 -41.11 98.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.57 -41.1 98.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.566 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.448 ' NH2' ' HB ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -62.27 -43.47 98.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.36 179.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.23 -42.75 99.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.526 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.89 -39.5 92.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.764 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.1 -46.63 88.97 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.288 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.931 ' O ' HD13 ' A' ' 40' ' ' LEU . . . -62.69 -40.55 97.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.294 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.455 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 89.3 t80 -58.62 -46.86 86.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.307 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.51 -39.28 90.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.101 0.477 . . . . 0.0 110.116 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.816 ' OD1' HD13 ' A' ' 40' ' ' LEU . 31.2 p30 -96.36 13.4 27.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.642 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.931 HD13 ' O ' ' A' ' 36' ' ' ALA . 1.7 mp -109.87 84.35 1.91 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.533 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.459 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 99.1 m-20 -63.89 140.79 58.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.615 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 75.41 19.42 79.45 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.641 ' CZ3' ' NZ ' ' A' ' 54' ' ' LYS . 76.1 m95 -118.31 132.2 56.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.809 0.338 . . . . 0.0 110.685 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.624 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 72.8 m-85 -138.11 128.49 26.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.484 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.629 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -138.52 155.13 48.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.951 0.405 . . . . 0.0 111.233 179.639 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -120.3 131.69 55.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.302 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.8 t -61.29 -43.0 99.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.77 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.2 tpt -60.6 -44.33 96.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.957 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.8 mtmt -107.42 38.52 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.698 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.605 ' C ' ' O ' ' A' ' 49' ' ' LYS . 97.4 m-20 -4.54 73.12 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.639 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.608 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.4 t -151.26 141.98 22.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.148 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 62' ' ' ARG . . . -121.57 145.81 47.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.468 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.624 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.2 p90 -148.44 160.58 42.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.641 ' NZ ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -126.06 146.67 49.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.663 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.572 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 53.3 p-10 -114.47 108.46 16.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 99.0 m-85 -97.34 -6.75 33.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.157 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.6 74.67 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HD2' ' A' ' 79' ' ' ARG . 99.7 mttt -115.41 -28.42 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 1.126 ' CE2' HD21 ' A' ' 111' ' ' LEU . 52.4 p90 -157.97 161.03 38.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.996 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 89.0 tt0 -114.76 125.6 53.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.728 HG22 ' HB ' ' A' ' 82' ' ' VAL . 47.1 pt -130.81 137.9 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.451 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' A' ' 53' ' ' TYR . 20.1 ptp180 -140.12 157.13 46.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 111.08 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 86' ' ' ALA . 8.6 mp -112.45 133.2 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.254 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.525 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 67.1 m -133.03 177.38 7.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.55 ' OD1' ' N ' ' A' ' 67' ' ' SER . 47.6 p30 -72.15 -169.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.458 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.46 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 32.4 p80 -56.36 -24.55 44.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.504 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.55 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 78.7 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.962 0.41 . . . . 0.0 110.248 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.466 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.535 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 22.8 tpp85 -127.2 150.31 49.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.899 HD23 ' NH2' ' A' ' 115' ' ' ARG . 0.1 OUTLIER -54.97 128.48 33.71 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.319 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 80' ' ' LEU . 89.2 mt -119.28 130.99 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.431 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.985 ' CG2' HD11 ' A' ' 117' ' ' ILE . 59.9 t -114.28 122.6 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.647 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.557 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 33.0 m120 -104.65 119.45 39.03 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.638 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.631 HG12 ' HB3' ' A' ' 119' ' ' ALA . 86.4 mt -123.35 128.11 74.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.807 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 64' ' ' SER . 99.3 mttt -76.75 136.15 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.706 -0.398 . . . . 0.0 109.967 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.683 ' CB ' HG21 ' A' ' 94' ' ' ILE . . . -153.78 159.44 41.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.046 0.451 . . . . 0.0 111.125 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.7 t -119.47 147.93 43.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.982 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.71 -40.46 92.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.64 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.842 HD21 ' OE2' ' A' ' 29' ' ' GLU . 7.6 mp -63.87 -39.94 95.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 110.417 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -110.23 23.8 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.583 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.649 ' O ' HG22 ' A' ' 94' ' ' ILE . 93.3 t80 -58.4 -48.52 80.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.74 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 95' ' ' ILE . 58.3 t -62.33 -43.59 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 110.274 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -62.52 -43.65 98.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.681 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.902 HD11 ' HZ1' ' A' ' 98' ' ' LYS . 6.3 tp -64.36 -36.42 77.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.105 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 43.9 pt -73.19 -25.96 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.504 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -64.05 -43.72 94.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.636 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -88.5 -45.73 9.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.431 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.902 ' HZ1' HD11 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -64.48 -40.82 96.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.38 -179.313 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.584 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 8.5 tt -68.24 -40.91 81.86 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.654 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.3 -41.54 96.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.608 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.644 ' NZ ' ' HB2' ' A' ' 119' ' ' ALA . 39.5 pttt -61.93 -32.39 72.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.024 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.591 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 99.1 mt -68.48 -44.42 83.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.098 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 103' ' ' ILE . 34.9 mm -62.11 -47.61 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.37 -44.93 93.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.623 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.598 ' HD3' ' CE1' ' A' ' 114' ' ' TYR . 41.2 ttmt -62.03 -45.16 94.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.403 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.585 HD11 HD23 ' A' ' 111' ' ' LEU . 79.6 mt -62.02 -42.61 95.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.555 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.05 -38.54 83.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.688 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -94.1 -27.69 16.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.164 0.507 . . . . 0.0 109.993 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.905 HD11 ' HG3' ' A' ' 113' ' ' LYS . 24.8 tp -154.88 129.06 8.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.003 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.55 141.08 57.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.632 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 1.126 HD21 ' CE2' ' A' ' 59' ' ' TYR . 3.0 pp -77.08 -16.27 59.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.35 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.493 ' OD1' ' HB3' ' A' ' 59' ' ' TYR . 97.9 m-20 -70.17 -15.3 62.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.273 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.905 ' HG3' HD11 ' A' ' 109' ' ' LEU . 75.1 mmtt -65.13 -38.44 90.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.173 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.867 ' O ' HD21 ' A' ' 80' ' ' LEU . 4.6 m-85 -79.01 118.09 20.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.254 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.899 ' NH2' HD23 ' A' ' 80' ' ' LEU . 6.6 mmp_? -63.27 -39.91 95.93 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.382 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -146.24 120.65 9.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.856 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.985 HD11 ' CG2' ' A' ' 82' ' ' VAL . 38.3 pt -130.92 148.42 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.297 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.557 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 50.7 t30 -149.26 116.21 5.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.872 ' CA ' HD13 ' A' ' 126' ' ' ILE . . . -99.06 125.67 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.187 0.517 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.595 ' OG1' ' CB ' ' A' ' 124' ' ' HIS . 72.1 p -82.66 162.91 21.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.701 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.547 ' O ' ' O ' ' A' ' 120' ' ' THR . 99.2 m-20 -42.21 174.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.709 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.418 ' HG ' ' CD1' ' A' ' 94' ' ' ILE . 87.8 mt -61.03 -40.32 93.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.2 -34.79 78.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.1 0.476 . . . . 0.0 109.941 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.595 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 79.7 m80 -85.14 164.99 17.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.224 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.53 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.9 m-20 -97.65 158.64 15.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 111.006 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.897 ' O ' HG23 ' A' ' 139' ' ' VAL . 0.2 OUTLIER -108.96 130.02 62.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.947 -179.412 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.747 ' N ' HD12 ' A' ' 126' ' ' ILE . 10.0 mptt -120.46 151.61 39.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.353 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.705 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 51.4 t -131.96 129.25 39.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.622 ' CE2' ' HD3' ' A' ' 137' ' ' LYS . 97.5 m-85 -107.91 130.5 55.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.845 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -59.3 -50.27 74.65 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.399 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.585 ' NZ ' ' HD3' ' A' ' 134' ' ' LYS . 3.1 pttm -119.46 19.1 12.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.131 0.491 . . . . 0.0 109.796 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.486 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.96 -13.43 67.68 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.016 -1.233 . . . . 0.0 110.016 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 87.9 t80 -162.54 116.9 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.585 ' HD3' ' NZ ' ' A' ' 131' ' ' LYS . 35.1 ttpt 176.28 164.05 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.884 0.374 . . . . 0.0 110.855 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 10.9 t -68.5 -23.97 64.62 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.796 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.545 ' HB3' ' CE ' ' A' ' 134' ' ' LYS . 23.9 tptm -90.45 115.38 27.57 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.996 0.427 . . . . 0.0 110.578 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.622 ' HD3' ' CE2' ' A' ' 129' ' ' TYR . 56.0 mtmt -142.71 154.75 44.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.486 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.538 ' OE1' ' OH ' ' A' ' 114' ' ' TYR . 99.3 mt-10 -115.24 142.05 47.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.319 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.974 ' O ' HD13 ' A' ' 140' ' ' ILE . 11.1 p -130.86 140.75 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.973 0.416 . . . . 0.0 110.687 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.974 HD13 ' O ' ' A' ' 139' ' ' VAL . 25.6 mm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.518 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HD3' ' C ' ' A' ' 24' ' ' ARG . 4.7 tmt_? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.622 0.249 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 54.5 tp10 -60.28 -44.11 95.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.573 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -69.57 -39.77 77.16 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.653 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.85 97.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.13 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 5.2 pp0? -73.6 -25.45 60.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.471 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.524 ' OE2' ' HA ' ' A' ' 89' ' ' LEU . 54.0 tp10 -62.06 -42.91 99.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.562 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.1 mmm -62.96 -40.48 97.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.92 -40.71 96.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.423 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HD3' ' C ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -61.61 -44.36 97.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.421 179.677 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 91' ' ' PHE . 62.6 tp -61.56 -44.65 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.637 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.86 -39.42 94.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -60.63 -43.94 96.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.619 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.18 -40.03 92.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.986 ' CE1' HD21 ' A' ' 45' ' ' LEU . 41.5 m-85 -65.94 -35.26 80.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.044 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.582 ' OE1' ' OD1' ' A' ' 39' ' ' ASN . 16.7 tm-20 -59.86 -39.44 85.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.13 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.582 ' OD1' ' OE1' ' A' ' 38' ' ' GLU . 98.0 m-20 -97.88 8.68 44.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -104.88 82.78 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.795 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.05 141.61 58.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.448 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.564 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 92.06 -4.59 78.11 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.581 -0.607 . . . . 0.0 111.581 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.597 ' CD2' ' HB2' ' A' ' 54' ' ' LYS . 95.0 m95 -116.71 138.4 51.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 110.358 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 65.9 m-85 -135.62 147.76 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.715 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.986 HD21 ' CE1' ' A' ' 37' ' ' PHE . 2.7 mp -120.07 143.88 47.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.75 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.565 ' OG ' ' HG3' ' A' ' 49' ' ' LYS . 88.3 p -120.69 140.18 51.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.951 0.405 . . . . 0.0 110.625 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -68.1 -38.96 82.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.673 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 tpt -59.11 -46.21 88.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.105 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.611 ' O ' ' N ' ' A' ' 51' ' ' SER . 7.2 ptpp? -121.06 54.42 1.09 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.204 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.602 ' C ' ' O ' ' A' ' 49' ' ' LYS . 59.1 p30 -15.74 82.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.611 ' N ' ' O ' ' A' ' 49' ' ' LYS . 97.0 p -155.57 164.19 38.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.561 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.686 ' HB1' ' CE2' ' A' ' 37' ' ' PHE . . . -126.06 141.88 51.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB3' ' CB ' ' A' ' 62' ' ' ARG . 52.2 p90 -151.67 160.84 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.022 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.606 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 34.3 ttpt -133.23 136.36 45.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.784 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -98.6 129.8 45.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.037 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.606 ' CZ ' ' HE3' ' A' ' 54' ' ' LYS . 97.7 m-85 -101.48 -4.34 26.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.12 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.9 -10.76 72.77 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 57.8 mtmt -115.54 -32.3 5.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.952 0.406 . . . . 0.0 110.538 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.688 ' CG ' HD12 ' A' ' 111' ' ' LEU . 53.8 p90 -154.91 161.53 41.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.422 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 1.017 ' O ' HD12 ' A' ' 81' ' ' ILE . 88.9 tt0 -113.99 129.33 56.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.942 0.401 . . . . 0.0 110.963 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.559 HG23 ' CD1' ' A' ' 59' ' ' TYR . 48.1 pt -127.8 138.45 54.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.01 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.654 ' CZ ' ' ND2' ' A' ' 83' ' ' ASN . 51.6 ptt85 -138.81 158.95 43.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.017 0.437 . . . . 0.0 111.158 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.712 HD11 ' CD1' ' A' ' 95' ' ' ILE . 84.1 mt -109.15 144.58 37.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.192 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 91.2 p -147.29 164.09 34.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -56.85 169.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.791 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.49 ' O ' ' HD3' ' A' ' 85' ' ' LYS . 62.1 m170 -61.27 -38.59 87.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.739 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.159 179.492 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 58' ' ' LYS . 56.9 mmm-85 -129.55 155.38 45.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.297 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.89 HD11 ' CA ' ' A' ' 115' ' ' ARG . 3.8 mm? -56.36 141.12 43.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.263 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.017 HD12 ' O ' ' A' ' 60' ' ' GLU . 11.1 tp -131.18 141.92 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.014 HG13 HG22 ' A' ' 117' ' ' ILE . 95.9 t -117.46 125.15 73.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.226 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.654 ' ND2' ' CZ ' ' A' ' 62' ' ' ARG . 32.7 m120 -101.71 126.01 48.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.647 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.059 HD13 ' HG2' ' A' ' 98' ' ' LYS . 84.5 mt -121.95 126.8 74.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 66' ' ' HIS . 64.3 mttp -85.25 131.35 34.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.633 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.829 ' HB2' HD13 ' A' ' 94' ' ' ILE . . . -157.95 140.26 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.5 p -74.28 159.73 32.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.355 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 63.1 mttp -63.65 -40.73 97.59 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.689 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.544 HD23 ' C ' ' A' ' 89' ' ' LEU . 9.6 tt -63.12 -44.56 95.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.75 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.508 ' ND2' HD23 ' A' ' 89' ' ' LEU . 33.7 m120 -104.87 16.86 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.512 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.641 ' CZ ' HD12 ' A' ' 63' ' ' LEU . 90.1 t80 -58.96 -49.3 78.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.496 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.806 ' O ' HG22 ' A' ' 95' ' ' ILE . 34.0 m -73.34 -35.56 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.743 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.81 -40.0 93.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.654 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.829 HD13 ' HB2' ' A' ' 86' ' ' ALA . 6.1 tt -65.94 -28.78 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.108 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.806 HG22 ' O ' ' A' ' 92' ' ' VAL . 5.3 tp -57.3 -39.76 69.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.476 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 95' ' ' ILE . 88.9 tt0 -63.29 -49.41 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.606 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.633 ' HB2' HD21 ' A' ' 122' ' ' LEU . 99.4 m-20 -70.81 -39.3 73.14 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.88 0.371 . . . . 0.0 111.555 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 1.059 ' HG2' HD13 ' A' ' 84' ' ' ILE . 0.7 OUTLIER -67.25 -36.25 81.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.088 -179.179 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 95' ' ' ILE . 3.5 mp -57.17 -43.76 82.9 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.224 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.27 -38.36 90.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.205 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 35.2 mmtp -64.91 -39.35 93.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.439 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 99' ' ' LEU . 45.5 pt -77.17 -36.33 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.103 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 99' ' ' LEU . 87.5 mt -62.18 -45.7 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.585 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 88.8 tt0 -63.27 -42.4 99.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.112 0.482 . . . . 0.0 110.045 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.706 ' HD3' HD13 ' A' ' 140' ' ' ILE . 58.3 mtmt -63.87 -40.26 96.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.67 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -73.33 -44.1 55.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.931 -179.283 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.585 ' OD1' ' O ' ' A' ' 104' ' ' GLU . 56.6 p30 -77.88 -4.32 46.13 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.632 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.54 ' HG2' ' OD1' ' A' ' 107' ' ' ASP . 31.7 mmmt -113.17 -32.28 6.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.189 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.985 ' O ' HD12 ' A' ' 109' ' ' LEU . 2.4 pp -157.13 132.5 9.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.7 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.09 146.01 51.23 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.38 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.688 HD12 ' CG ' ' A' ' 59' ' ' TYR . 96.5 mt -79.3 -13.05 59.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.031 0.443 . . . . 0.0 110.265 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.22 -37.83 81.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.364 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -64.33 -39.3 93.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.511 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.841 ' HE1' HD13 ' A' ' 109' ' ' LEU . 93.6 m-85 -78.9 149.99 32.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.586 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.89 ' CA ' HD11 ' A' ' 80' ' ' LEU . 41.6 mmt180 -104.56 -29.34 10.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.239 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.597 ' C ' HD12 ' A' ' 117' ' ' ILE . 90.5 t80 -147.63 127.99 13.95 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.242 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 1.014 HG22 HG13 ' A' ' 82' ' ' VAL . 1.4 mp -126.4 138.37 54.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.049 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 67.0 t30 -137.59 111.3 8.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.46 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.887 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -101.13 132.77 46.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.662 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.612 ' CG2' ' CB ' ' A' ' 124' ' ' HIS . 14.8 m -97.32 162.52 13.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.115 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.609 ' O ' ' O ' ' A' ' 120' ' ' THR . 55.4 t30 -37.95 173.57 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.227 0.537 . . . . 0.0 111.674 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 97' ' ' ASN . 86.6 mt -60.26 -39.52 87.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.437 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.12 -33.84 76.97 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CB ' ' CG2' ' A' ' 120' ' ' THR . 80.2 m80 -89.68 165.12 14.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.712 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -98.18 171.02 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.74 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.861 ' C ' HD13 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -107.97 137.04 41.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.002 -179.556 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.775 ' HG2' HG22 ' A' ' 139' ' ' VAL . 98.5 mttt -125.77 150.66 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.752 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.597 ' SG ' ' HB3' ' A' ' 138' ' ' GLU . 30.3 p -135.91 156.09 49.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.445 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.7 m-85 -118.18 133.22 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.028 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.494 ' HD2' ' HG3' ' A' ' 131' ' ' LYS . 77.4 t80 -60.05 -49.14 78.85 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.704 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.529 ' HD2' ' CE ' ' A' ' 134' ' ' LYS . 99.0 mttt -105.07 7.27 33.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 110.096 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.541 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 94.82 -15.61 63.0 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.541 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.0 t80 -160.92 115.47 2.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 23.4 ttmm 173.41 164.97 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.543 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.533 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 96.2 m -66.45 -40.98 89.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.081 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -69.0 121.37 16.49 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.015 0.436 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 19.5 ptpt -151.34 158.96 44.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.412 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.737 ' OE1' HD22 ' A' ' 109' ' ' LEU . 88.8 tt0 -117.76 126.87 53.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.898 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.775 HG22 ' HG2' ' A' ' 127' ' ' LYS . 88.5 t -119.83 127.84 75.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.81 ' CD1' HD12 ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.713 0.292 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.26 -42.23 98.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.412 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -64.73 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.56 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.18 91.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.575 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -62.98 -39.88 96.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.403 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 88' ' ' LYS . 54.5 tp10 -62.03 -42.18 98.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.541 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -62.41 -40.33 96.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.74 -40.13 94.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.368 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.36 -43.78 98.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.533 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.63 -39.85 95.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.29 -40.62 96.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.387 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.29 -44.44 97.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.082 0.467 . . . . 0.0 109.83 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.71 -38.07 86.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.279 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.727 ' HB2' HD12 ' A' ' 45' ' ' LEU . 93.7 t80 -58.22 -47.28 84.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.357 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.592 ' OE1' ' ND2' ' A' ' 39' ' ' ASN . 16.7 tm-20 -59.55 -40.36 86.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.919 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.592 ' ND2' ' OE1' ' A' ' 38' ' ' GLU . 34.5 m120 -99.17 12.58 35.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.98 0.419 . . . . 0.0 110.31 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.767 HD22 ' CB ' ' A' ' 43' ' ' TRP . 1.2 mt -94.08 77.08 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.414 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -67.57 129.05 38.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.538 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 83.08 2.3 90.58 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.767 ' CB ' HD22 ' A' ' 40' ' ' LEU . 93.4 m95 -119.15 144.16 46.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.659 0.266 . . . . 0.0 110.713 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 80.2 m-85 -131.99 143.74 50.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.646 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 52' ' ' ALA . 92.0 mt -115.03 135.28 54.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.648 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 40.4 t -120.51 128.28 52.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.138 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.46 ' HA ' ' OD1' ' A' ' 50' ' ' ASP . 48.0 t -63.45 -45.15 92.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.3 tpt -61.09 -44.36 97.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.358 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.624 ' O ' ' N ' ' A' ' 51' ' ' SER . 75.5 mmtt -112.66 38.7 2.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.378 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' LYS . 97.4 m-20 -13.56 79.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.628 0.58 . . . . 0.0 111.078 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.7 t -156.71 147.51 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.062 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.85 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -113.29 140.04 48.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.712 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.589 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 53.7 p90 -148.44 159.04 44.43 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.322 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.64 ' CD ' ' CZ ' ' A' ' 56' ' ' PHE . 41.1 ttmt -117.0 126.65 53.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.894 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -101.29 104.8 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.737 ' CD1' ' CZ ' ' A' ' 59' ' ' TYR . 70.9 m-85 -86.83 -10.98 52.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 109.952 178.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.94 -9.58 77.4 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm -112.68 -30.56 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.277 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.901 ' CG ' HD22 ' A' ' 111' ' ' LEU . 55.1 p90 -153.99 161.67 41.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -117.42 129.08 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.14 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 48.2 pt -126.08 136.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.6 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.524 HH21 ' CB ' ' A' ' 51' ' ' SER . 8.9 ptm180 -140.81 155.64 46.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.535 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.865 HD13 ' CG2' ' A' ' 94' ' ' ILE . 89.1 mt -112.96 127.6 56.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.129 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.538 ' O ' ' O ' ' A' ' 65' ' ' ASN . 70.4 m -137.51 160.03 40.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.538 ' O ' ' O ' ' A' ' 64' ' ' SER . 51.7 t30 -55.84 -145.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.738 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.457 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 52.1 p-80 -59.95 -24.72 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--N 1.328 -0.353 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.479 179.611 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -132.61 159.37 39.73 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.819 HD11 ' HA ' ' A' ' 115' ' ' ARG . 3.6 mm? -56.04 141.37 40.33 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.34 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.6 mt -116.44 128.06 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.083 HG22 ' HB ' ' A' ' 117' ' ' ILE . 66.9 t -117.54 124.39 72.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.298 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -101.75 123.13 45.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.167 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.853 HD13 ' HG2' ' A' ' 98' ' ' LYS . 86.0 mt -118.86 127.48 75.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.036 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -102.74 130.61 49.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.469 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.565 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -157.13 153.94 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.45 ' HB2' ' HB2' ' A' ' 90' ' ' ASN . 69.2 m -69.76 150.78 46.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.271 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 68.5 mttm -61.57 -39.72 92.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.53 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.771 HD12 ' OD1' ' A' ' 90' ' ' ASN . 3.0 pp -75.41 -20.16 59.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.335 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.771 ' OD1' HD12 ' A' ' 89' ' ' LEU . 98.5 m-20 -100.36 11.87 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.494 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.641 ' O ' HG22 ' A' ' 94' ' ' ILE . 90.1 t80 -58.97 -48.67 80.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 1.104 ' O ' HG22 ' A' ' 95' ' ' ILE . 56.7 t -62.17 -45.62 98.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.946 0.403 . . . . 0.0 110.647 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -62.14 -44.4 96.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.865 ' CG2' HD13 ' A' ' 63' ' ' LEU . 5.8 tp -67.11 -29.71 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.108 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 1.104 HG22 ' O ' ' A' ' 92' ' ' VAL . 9.3 tp -61.96 -30.53 48.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.288 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -88.31 -53.94 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.889 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.584 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 30.2 m120 -65.66 -42.64 91.15 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.554 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.853 ' HG2' HD13 ' A' ' 84' ' ' ILE . 17.4 tppt? -65.39 -43.4 90.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.728 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.842 HD13 ' O ' ' A' ' 95' ' ' ILE . 8.2 mp -61.12 -41.5 96.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.181 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.46 -39.62 93.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.335 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.7 mmtp -63.29 -39.13 93.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.12 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.581 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.39 -41.61 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.708 -179.275 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.868 ' O ' HG22 ' A' ' 106' ' ' ILE . 91.4 mt -61.68 -45.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.54 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -62.47 -45.64 92.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.383 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 102' ' ' ILE . 22.4 ptmt -65.77 -33.35 75.66 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.505 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.868 HG22 ' O ' ' A' ' 103' ' ' ILE . 10.7 tt -70.18 -28.44 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.551 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.47 -39.6 93.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -89.35 -14.6 35.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.259 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.827 HD22 ' OH ' ' A' ' 114' ' ' TYR . 1.9 pp -157.0 164.23 38.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.459 ' N ' HD12 ' A' ' 109' ' ' LEU . 68.4 m-20 -104.38 139.81 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.722 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.901 HD22 ' CG ' ' A' ' 59' ' ' TYR . 10.6 mp -64.48 -24.59 67.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.342 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -58.75 -37.95 77.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.469 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -63.65 -39.24 93.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.124 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.827 ' OH ' HD22 ' A' ' 109' ' ' LEU . 22.3 m-30 -77.34 139.08 39.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.246 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.819 ' HA ' HD11 ' A' ' 80' ' ' LEU . 69.6 mtp85 -95.7 -37.69 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.527 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CD1' ' HA3' ' A' ' 132' ' ' GLY . 96.0 m-85 -129.84 128.55 42.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.962 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 1.083 ' HB ' HG22 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -135.5 133.85 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.493 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.582 ' O ' HD12 ' A' ' 126' ' ' ILE . 55.4 t-20 -148.12 111.71 5.02 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.216 -178.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.899 ' HA ' HD13 ' A' ' 126' ' ' ILE . . . -82.82 150.44 26.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.778 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.581 ' OG1' ' CB ' ' A' ' 124' ' ' HIS . 53.0 p -118.86 161.86 19.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.884 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 124' ' ' HIS . 63.2 t30 -38.5 150.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.333 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.22 -35.88 5.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.4 -34.46 78.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.119 0.485 . . . . 0.0 109.728 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.581 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 98.9 m-70 -87.24 164.12 16.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.755 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.545 ' O ' ' OG1' ' A' ' 120' ' ' THR . 54.3 p30 -97.06 173.97 6.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.899 HD13 ' HA ' ' A' ' 119' ' ' ALA . 2.5 tp -107.1 137.42 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.135 0.493 . . . . 0.0 110.453 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.566 ' H ' HD12 ' A' ' 126' ' ' ILE . 98.5 mttt -119.42 136.06 54.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.608 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.706 ' SG ' ' CG ' ' A' ' 114' ' ' TYR . 52.6 t -135.8 131.29 35.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.787 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.467 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -108.01 131.82 54.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.127 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.801 ' HD2' ' HZ3' ' A' ' 134' ' ' LYS . 86.3 t80 -60.23 -48.68 80.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.803 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.604 ' HB3' ' HZ2' ' A' ' 134' ' ' LYS . 64.6 tttp -105.93 -3.64 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.572 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.574 ' HA3' ' CD1' ' A' ' 116' ' ' PHE . . . 100.68 -17.0 57.16 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.632 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 55.6 p90 -161.63 116.16 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.801 ' HZ3' ' HD2' ' A' ' 130' ' ' TYR . 0.1 OUTLIER 170.75 166.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.833 -179.177 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.6 t -68.76 -20.32 64.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.557 ' O ' ' HD3' ' A' ' 134' ' ' LYS . 64.2 tttm -92.31 118.45 30.92 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.117 0.484 . . . . 0.0 110.957 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -150.64 159.01 44.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.346 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.521 ' HG3' ' OH ' ' A' ' 114' ' ' TYR . 79.3 mm-40 -115.65 141.1 48.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.517 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.9 p -138.77 142.72 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.592 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 105' ' ' LYS . 87.4 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.56 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.518 ' HD2' ' O ' ' A' ' 24' ' ' ARG . 8.2 tmm_? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.679 0.276 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.36 -43.42 96.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.515 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -65.33 -38.69 90.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.493 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.46 94.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.679 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.21 -40.14 96.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.372 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.561 ' OE2' ' O ' ' A' ' 88' ' ' LYS . 54.1 tp10 -62.26 -42.25 99.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 ttp -60.7 -45.19 95.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.49 -40.14 93.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.384 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -61.28 -43.71 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.395 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.55 -43.77 98.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.467 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.4 -42.18 98.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.478 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.15 -39.72 93.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.307 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.663 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.57 -39.34 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.318 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' HB2' HD11 ' A' ' 45' ' ' LEU . 82.3 t80 -58.64 -47.3 84.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.33 -39.84 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.565 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -90.93 12.57 19.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.654 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.932 HD12 ' CD1' ' A' ' 43' ' ' TRP . 1.1 mm? -119.0 80.29 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 41' ' ' ASP . 58.7 p30 -67.54 141.6 56.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.376 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.548 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 81.53 6.68 88.99 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.932 ' CD1' HD12 ' A' ' 40' ' ' LEU . 92.8 m95 -116.79 143.2 45.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 110.653 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.522 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 68.4 m-85 -130.35 146.85 51.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.844 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.837 HD21 ' HB2' ' A' ' 52' ' ' ALA . 90.5 mt -114.49 141.39 47.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.532 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.7 p -120.07 133.55 55.49 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.247 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.5 p -68.57 -34.96 76.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.376 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.463 ' HE2' ' HA ' ' A' ' 48' ' ' MET . 39.0 mmt -61.94 -41.01 97.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.001 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.9 mtmt -130.27 38.66 3.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.792 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.8 m-20 1.86 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.609 0.568 . . . . 0.0 111.476 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.633 ' N ' ' O ' ' A' ' 49' ' ' LYS . 71.0 m -130.77 150.16 52.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.897 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.837 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -112.82 135.52 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.162 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.591 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 52.6 p90 -147.79 158.16 43.89 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.657 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.609 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 35.4 ttpt -134.39 137.02 43.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.141 0.496 . . . . 0.0 111.082 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 58.8 p30 -95.41 140.85 29.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.837 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.605 ' CZ ' ' HE3' ' A' ' 54' ' ' LYS . 98.0 m-85 -112.66 -7.98 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.263 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.499 ' C ' HH12 ' A' ' 79' ' ' ARG . . . 90.52 -11.46 71.39 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HB3' ' OD2' ' A' ' 112' ' ' ASP . 30.7 mtpp -115.62 -30.7 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.006 0.431 . . . . 0.0 110.458 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 1.09 ' CE2' HD21 ' A' ' 111' ' ' LEU . 54.1 p90 -154.81 161.44 41.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.501 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.514 ' HB2' ' HD2' ' A' ' 79' ' ' ARG . 89.0 tt0 -116.11 127.97 55.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.806 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.813 HG22 ' HB ' ' A' ' 82' ' ' VAL . 48.4 pt -127.23 137.52 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.034 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.696 ' C ' HD12 ' A' ' 63' ' ' LEU . 9.1 ptm180 -139.8 155.83 47.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.019 0.438 . . . . 0.0 111.087 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.097 HD11 HD12 ' A' ' 84' ' ' ILE . 7.0 mp -118.17 125.49 50.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.942 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 65' ' ' ASN . 63.0 m -128.37 153.71 46.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.767 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 21.6 m120 -56.22 -158.82 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.461 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.478 ' HE1' ' OG ' ' A' ' 87' ' ' SER . 75.0 m80 -61.78 -39.49 91.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.353 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.596 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.514 ' HD2' ' HB2' ' A' ' 60' ' ' GLU . 10.3 ptp180 -135.98 161.4 35.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.677 0.275 . . . . 0.0 110.362 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.834 HD22 ' H ' ' A' ' 80' ' ' LEU . 1.3 mm? -68.97 143.22 54.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.395 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.628 ' O ' HD12 ' A' ' 117' ' ' ILE . 87.4 mt -119.07 128.37 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.947 ' CG2' HD13 ' A' ' 117' ' ' ILE . 65.1 t -111.45 122.63 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.111 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.504 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 83.8 m-20 -108.55 130.12 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.653 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.097 HD12 HD11 ' A' ' 63' ' ' LEU . 86.7 mt -121.86 127.94 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.488 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -102.49 129.46 49.01 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.567 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.811 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -157.82 154.12 27.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.478 ' OG ' ' HE1' ' A' ' 66' ' ' HIS . 70.8 m -65.72 145.17 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.153 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.561 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 26.1 pttm -60.9 -32.65 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.321 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.542 HD12 ' OE1' ' A' ' 29' ' ' GLU . 61.0 tp -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.178 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -102.19 17.6 22.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.448 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.708 ' O ' HG22 ' A' ' 94' ' ' ILE . 91.0 t80 -58.07 -48.71 79.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.395 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' A' ' 95' ' ' ILE . 57.6 t -62.28 -44.61 99.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.394 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.99 -42.45 98.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.811 HG12 ' HB2' ' A' ' 86' ' ' ALA . 3.8 tp -59.54 -29.02 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.126 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 92' ' ' VAL . 88.0 mt -60.72 -45.5 97.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.973 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.546 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 59.9 mp0 -62.64 -46.95 85.84 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.873 -179.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.9 m-20 -71.86 -41.86 67.58 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.923 ' HG2' HG21 ' A' ' 84' ' ' ILE . 2.1 mptp? -68.41 -42.16 79.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.621 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.958 HD13 HD11 ' A' ' 102' ' ' ILE . 1.3 mm? -62.69 -41.86 99.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.02 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.559 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 98.9 m-20 -63.37 -39.84 95.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.739 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 74.5 mmtt -64.29 -39.29 93.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.958 HD11 HD13 ' A' ' 99' ' ' LEU . 44.8 pt -75.34 -37.49 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.987 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.526 ' N ' HG13 ' A' ' 102' ' ' ILE . 89.8 mt -62.16 -47.41 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 0.0 110.614 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.559 ' OE1' ' O ' ' A' ' 100' ' ' ASP . 4.5 mp0 -67.33 -39.38 85.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.773 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.599 ' NZ ' ' SG ' ' A' ' 128' ' ' CYS . 40.9 ttmt -60.41 -45.17 94.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.603 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.774 ' CG1' HD23 ' A' ' 111' ' ' LEU . 77.7 mt -60.86 -42.54 92.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.367 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.02 -41.65 92.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.777 -178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.541 ' HB2' HD13 ' A' ' 109' ' ' LEU . 98.5 mttt -72.95 -38.44 66.75 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.24 0.543 . . . . 0.0 109.731 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.924 ' N ' HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -156.98 178.19 10.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.018 179.689 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -90.07 129.41 36.37 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 1.09 HD21 ' CE2' ' A' ' 59' ' ' TYR . 3.7 pp -72.92 -17.32 61.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.966 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.796 ' HA ' HD23 ' A' ' 80' ' ' LEU . 98.2 m-20 -64.09 -22.1 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.47 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.284 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.537 ' CZ ' ' OE1' ' A' ' 138' ' ' GLU . 53.1 m-85 -78.83 110.76 14.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.318 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.516 ' HA ' HD12 ' A' ' 80' ' ' LEU . 62.8 ttm-85 -63.05 -43.07 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.721 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.417 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 92.0 t80 -121.04 122.37 39.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.406 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 1.003 HG23 ' SG ' ' A' ' 128' ' ' CYS . 0.5 OUTLIER -127.59 131.28 70.24 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.478 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 83' ' ' ASN . 66.7 t30 -148.37 113.58 5.54 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.548 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.796 ' HB2' HD12 ' A' ' 126' ' ' ILE . . . -83.0 156.29 23.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.554 ' O ' ' O ' ' A' ' 121' ' ' ASN . 53.1 p -124.99 161.14 27.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.066 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.554 ' O ' ' O ' ' A' ' 120' ' ' THR . 25.3 m120 -39.29 169.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.485 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.68 -39.45 88.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.235 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.599 ' HG3' ' CD2' ' A' ' 124' ' ' HIS . 25.1 pt-20 -67.39 -14.34 62.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.934 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.599 ' CD2' ' HG3' ' A' ' 123' ' ' GLU . 98.9 m-70 -112.82 158.98 19.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.686 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.533 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.3 m-20 -98.69 170.49 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.684 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.796 HD12 ' HB2' ' A' ' 119' ' ' ALA . 16.9 tt -108.09 133.96 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 110.431 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -120.32 139.08 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.579 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 1.003 ' SG ' HG23 ' A' ' 117' ' ' ILE . 75.5 m -125.75 149.1 48.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.703 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.502 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.3 m-85 -117.54 137.05 52.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.131 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.617 ' CE2' ' HE3' ' A' ' 131' ' ' LYS . 62.3 t80 -60.89 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.617 ' HE3' ' CE2' ' A' ' 130' ' ' TYR . 34.9 mmtp -116.07 12.22 15.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.491 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.502 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.33 -13.37 67.37 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.497 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 83.0 t80 -162.53 116.79 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.537 ' NZ ' ' NZ ' ' A' ' 136' ' ' LYS . 6.8 mtpp 171.65 166.5 0.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.698 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 12.7 t -67.31 -25.23 65.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.579 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.537 ' NZ ' ' NZ ' ' A' ' 134' ' ' LYS . 39.2 mtmm -81.77 126.62 32.05 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.127 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -151.33 158.62 44.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.782 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.537 ' OE1' ' CZ ' ' A' ' 114' ' ' TYR . 88.8 tt0 -117.23 129.42 55.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.207 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 10.0 p -136.3 140.91 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.689 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.613 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.694 0.283 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.503 ' HA ' HE21 ' A' ' 28' ' ' GLN . 78.6 mm-40 -62.61 -40.31 96.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.408 . . . . 0.0 110.458 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -67.44 -38.77 85.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.844 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.8 98.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.892 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.503 HE21 ' HA ' ' A' ' 25' ' ' GLU . 20.2 pt20 -73.6 -25.43 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.438 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.521 ' OE2' ' C ' ' A' ' 88' ' ' LYS . 54.4 tp10 -62.27 -42.55 99.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.322 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -62.64 -40.4 96.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.482 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.83 -40.4 95.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.321 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.645 ' CZ ' ' O ' ' A' ' 89' ' ' LEU . 79.8 ttt180 -61.61 -43.76 98.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.341 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.93 -39.16 93.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.537 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -61.85 -39.95 93.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.001 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.899 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.66 -39.1 90.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.28 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 79.3 t80 -58.22 -47.48 83.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.47 -37.92 82.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.791 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.72 7.99 44.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.362 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.899 HD23 ' O ' ' A' ' 36' ' ' ALA . 2.1 mm? -111.74 93.58 4.53 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.849 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.9 t0 -67.52 130.7 43.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.802 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.1 17.86 70.97 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.935 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.756 ' CD1' HD12 ' A' ' 40' ' ' LEU . 93.1 m95 -118.25 142.0 47.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.798 0.333 . . . . 0.0 110.755 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 81.1 m-85 -134.22 145.65 49.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.756 HD21 ' HB2' ' A' ' 52' ' ' ALA . 92.6 mt -118.7 139.65 51.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.615 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 40.1 t -120.22 128.52 53.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.408 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.0 p -67.12 -37.35 83.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 63.5 mtt -62.95 -40.58 98.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.631 ' O ' ' C ' ' A' ' 50' ' ' ASP . 99.4 mttt -122.17 38.76 4.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.579 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.631 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.5 m-20 -5.21 75.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.57 0.544 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.4 t -149.63 150.27 31.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.859 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.756 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -108.64 138.27 45.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.345 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.2 p90 -149.99 163.47 38.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.51 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 1.041 ' HD3' HD11 ' A' ' 61' ' ' ILE . 22.0 ptmt -132.49 147.98 52.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -114.89 106.26 13.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.341 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.646 ' CE1' ' CE ' ' A' ' 54' ' ' LYS . 1.4 m-85 -92.51 -9.83 39.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 0.0 110.392 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.63 -9.73 76.77 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -113.46 -31.08 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.463 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.609 ' CD2' HD12 ' A' ' 111' ' ' LEU . 54.2 p90 -154.81 160.92 41.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.603 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.569 ' OE2' ' CD1' ' A' ' 53' ' ' TYR . 51.5 tp10 -121.48 128.23 51.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.615 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.041 HD11 ' HD3' ' A' ' 54' ' ' LYS . 47.3 pt -130.8 137.18 56.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.482 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.661 ' CZ ' ' OD1' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -139.48 157.09 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.103 0.477 . . . . 0.0 110.949 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.872 ' N ' HD12 ' A' ' 63' ' ' LEU . 2.3 mp -112.21 146.94 37.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.863 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 65' ' ' ASN . 99.5 p -142.83 162.78 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.789 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.465 HD21 ' HE2' ' A' ' 88' ' ' LYS . 98.8 m-20 -56.27 -159.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.594 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.575 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 86.6 t60 -58.81 -46.51 87.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.308 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--N 1.329 -0.319 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.14 179.385 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.509 ' C ' ' HD2' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.509 ' HD2' ' C ' ' A' ' 78' ' ' GLY . 12.4 mpt_? -118.91 153.24 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.725 0.298 . . . . 0.0 110.447 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.579 ' CD1' ' O ' ' A' ' 114' ' ' TYR . 3.7 mm? -56.64 149.82 16.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.414 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.7 mm -106.99 123.59 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.93 ' HB ' HG22 ' A' ' 61' ' ' ILE . 49.1 t -124.3 124.84 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.712 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.661 ' OD1' ' CZ ' ' A' ' 62' ' ' ARG . 98.3 m-20 -106.16 124.28 49.34 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.705 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.815 HG12 ' HB3' ' A' ' 119' ' ' ALA . 86.4 mt -119.1 127.87 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.451 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.575 ' CE ' ' O ' ' A' ' 66' ' ' HIS . 59.8 mtpt -101.86 126.5 48.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.749 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.707 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -162.37 150.79 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.4 m -73.72 148.61 42.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.587 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.521 ' C ' ' OE2' ' A' ' 29' ' ' GLU . 68.4 mttm -62.19 -39.59 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.834 0.349 . . . . 0.0 110.332 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.645 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 7.6 mp -62.55 -38.74 91.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.899 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -99.49 16.18 24.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.484 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.832 ' O ' HG23 ' A' ' 95' ' ' ILE . 87.3 t80 -58.6 -48.14 81.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.72 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 95' ' ' ILE . 66.8 t -61.44 -46.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.203 0.525 . . . . 0.0 110.44 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.31 -40.22 95.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.816 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.707 HG12 ' HB2' ' A' ' 86' ' ' ALA . 5.5 tp -70.46 -38.63 74.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.451 -178.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.832 HG23 ' O ' ' A' ' 91' ' ' PHE . 47.3 pt -67.26 -31.6 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.619 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 98.8 mt-10 -65.49 -41.46 93.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.557 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 64.7 t30 -84.45 -46.26 11.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.414 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.758 ' NZ ' HD23 ' A' ' 122' ' ' LEU . 14.4 mptt -64.83 -40.61 95.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.977 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.63 ' C ' HD23 ' A' ' 99' ' ' LEU . 10.2 tt -59.96 -44.13 94.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.973 0.416 . . . . 0.0 109.999 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.99 -39.26 91.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.461 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.577 ' O ' ' CG ' ' A' ' 105' ' ' LYS . 75.6 mmtt -62.54 -38.84 91.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.114 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.599 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -76.0 -45.43 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.648 -179.195 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.859 ' O ' HG22 ' A' ' 106' ' ' ILE . 33.4 mm -62.46 -47.29 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.718 0.294 . . . . 0.0 111.167 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 88.8 tt0 -67.0 -43.92 81.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 110.832 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.984 ' HE3' HD13 ' A' ' 140' ' ' ILE . 47.0 mmtm -64.54 -40.08 94.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.385 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.859 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.7 tt -63.5 -30.92 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.628 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -63.15 -45.07 93.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.412 ' NZ ' ' HG2' ' A' ' 104' ' ' GLU . 38.2 mtmm -73.27 -37.8 66.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.126 0.488 . . . . 0.0 110.242 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.966 ' O ' HD12 ' A' ' 109' ' ' LEU . 1.2 pp -148.52 132.2 16.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.385 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.56 140.12 58.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.929 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.609 HD12 ' CD2' ' A' ' 59' ' ' TYR . 88.3 mt -63.6 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.361 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.533 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 64.6 t0 -51.76 -17.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.186 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -64.63 -38.18 90.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.868 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.599 ' OH ' HD13 ' A' ' 109' ' ' LEU . 32.0 m-85 -86.64 122.79 31.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.15 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.554 ' HB2' ' N ' ' A' ' 132' ' ' GLY . 56.6 mmm-85 -63.58 -39.53 94.63 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.355 -0.538 . . . . 0.0 109.633 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -150.26 122.89 8.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.193 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 1.015 HG22 ' CB ' ' A' ' 128' ' ' CYS . 33.3 pt -125.85 149.95 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.552 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 51.0 t30 -145.94 112.17 5.77 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.614 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.815 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.16 153.17 24.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.93 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.589 ' O ' ' O ' ' A' ' 121' ' ' ASN . 72.1 p -127.82 161.92 27.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.53 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.589 ' O ' ' O ' ' A' ' 120' ' ' THR . 23.4 m120 -39.14 171.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.744 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.758 HD23 ' NZ ' ' A' ' 98' ' ' LYS . 90.9 mt -60.34 -40.4 90.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.434 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.62 -35.7 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.942 0.401 . . . . 0.0 110.02 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.558 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 64.8 m170 -82.13 157.83 23.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.466 ' O ' ' OG1' ' A' ' 120' ' ' THR . 54.3 p30 -97.89 173.92 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.066 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.882 ' O ' HG13 ' A' ' 139' ' ' VAL . 62.9 mt -107.59 128.97 62.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.174 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.473 ' HA ' HG22 ' A' ' 139' ' ' VAL . 19.9 ptmt -141.82 136.07 30.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.248 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 1.015 ' CB ' HG22 ' A' ' 117' ' ' ILE . 31.2 p -137.81 171.87 13.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.471 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.5 m-85 -111.11 135.96 50.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.212 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.79 -48.69 80.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.456 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.545 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 16.7 ptpt -113.84 11.1 17.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.353 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.554 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 95.54 -17.21 59.73 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.52 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 81.6 t80 -162.35 116.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.797 ' NZ ' HG22 ' A' ' 135' ' ' THR . 29.6 tptp 174.29 159.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.381 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.797 HG22 ' NZ ' ' A' ' 134' ' ' LYS . 11.4 t -68.01 -9.51 46.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.458 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 35.2 mmtp -98.67 131.48 44.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 26.4 pttm -150.47 158.61 44.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.374 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.536 ' OE1' ' OH ' ' A' ' 114' ' ' TYR . 88.7 tt0 -116.69 124.55 49.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.313 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 126' ' ' ILE . 90.8 t -124.35 128.73 73.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.687 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.984 HD13 ' HE3' ' A' ' 105' ' ' LYS . 90.1 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.576 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.814 0.34 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.562 ' OE2' ' CG ' ' A' ' 29' ' ' GLU . 16.4 tm-20 -64.24 -41.57 96.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.268 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -60.2 -48.73 80.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.32 94.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.535 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.32 -40.64 96.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.484 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.89 ' OE1' HD23 ' A' ' 89' ' ' LEU . 78.2 mm-40 -62.66 -39.33 93.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.528 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.2 -46.76 88.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.31 -40.35 96.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.095 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.475 ' NH2' ' HB ' ' A' ' 92' ' ' VAL . 4.5 tmt_? -61.62 -43.91 97.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.357 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.705 ' HG ' HD13 ' A' ' 45' ' ' LEU . 61.5 tp -61.6 -43.98 97.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.216 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -62.67 -38.56 90.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.251 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.609 ' NZ ' ' ND2' ' A' ' 39' ' ' ASN . 29.6 tptp -59.68 -42.31 92.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.999 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.933 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.69 -39.03 87.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.204 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 44' ' ' TYR . 62.2 t80 -57.47 -47.0 83.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.98 -39.8 82.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.994 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.609 ' ND2' ' NZ ' ' A' ' 35' ' ' LYS . 98.5 m-20 -98.22 9.72 42.29 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.933 HD23 ' O ' ' A' ' 36' ' ' ALA . 3.4 mm? -113.12 84.77 2.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.7 t0 -67.05 132.86 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.766 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.635 ' O ' ' CE3' ' A' ' 43' ' ' TRP . . . 92.75 -5.23 76.5 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.657 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.837 ' CD1' HD12 ' A' ' 40' ' ' LEU . 8.9 m95 -119.57 148.33 43.44 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.571 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 61.7 m-85 -134.06 148.12 51.0 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.211 -178.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.705 HD13 ' HG ' ' A' ' 33' ' ' LEU . 87.0 mt -137.06 132.61 34.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.45 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.9 m -112.82 127.94 56.31 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.495 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.9 t -66.4 -45.23 80.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.474 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.465 ' HG3' ' HG3' ' A' ' 49' ' ' LYS . 27.3 ptt? -68.52 -29.85 68.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.454 -179.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.63 ' O ' ' N ' ' A' ' 51' ' ' SER . 62.0 mtpt -118.69 39.5 3.48 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.809 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.8 p30 -8.18 76.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.612 0.57 . . . . 0.0 111.037 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.6 t -154.51 154.35 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.367 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.89 ' HB3' ' CG ' ' A' ' 63' ' ' LEU . . . -107.67 130.52 54.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.1 0.476 . . . . 0.0 110.595 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.612 ' CE1' ' NH2' ' A' ' 62' ' ' ARG . 0.5 OUTLIER -107.43 137.64 45.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.25 -179.622 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.698 ' HZ1' HD23 ' A' ' 99' ' ' LEU . 58.3 mtpt -127.03 127.48 44.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.647 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -114.39 121.63 44.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.604 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 97.8 m-85 -113.02 -16.01 12.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.992 0.425 . . . . 0.0 110.401 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.37 -11.36 70.05 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.528 ' HE2' ' OD2' ' A' ' 110' ' ' ASP . 60.6 mtpt -115.62 -29.51 6.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.005 0.431 . . . . 0.0 110.225 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 1.08 ' CZ ' HD21 ' A' ' 111' ' ' LEU . 53.7 p90 -154.95 161.43 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.376 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.594 ' OE1' HD12 ' A' ' 81' ' ' ILE . 16.5 tm-20 -117.58 123.25 45.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.698 HG23 ' HD1' ' A' ' 59' ' ' TYR . 48.7 pt -132.18 138.42 52.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.041 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.612 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 19.7 ptp180 -136.9 159.07 42.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.359 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.89 ' CG ' ' HB3' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -121.16 140.8 51.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.602 -179.814 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.514 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 49.9 m -127.08 168.21 14.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.122 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -54.83 -173.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -60.8 -39.68 89.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.224 179.256 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -129.15 155.97 44.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 110.473 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.075 HD23 ' N ' ' A' ' 81' ' ' ILE . 3.3 tt -56.21 136.46 52.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.203 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.075 ' N ' HD23 ' A' ' 80' ' ' LEU . 11.1 tp -117.08 128.09 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.467 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.916 HG22 ' CG1' ' A' ' 117' ' ' ILE . 53.1 t -126.4 124.59 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.293 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.581 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 50.1 t30 -100.64 111.64 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.541 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.889 HG12 ' HB3' ' A' ' 119' ' ' ALA . 82.4 mt -113.05 122.88 68.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.321 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.514 ' HA ' ' O ' ' A' ' 64' ' ' SER . 64.3 mttp -77.16 136.33 38.58 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.092 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.82 ' HB2' HD13 ' A' ' 94' ' ' ILE . . . -154.43 160.02 41.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.001 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.3 t -119.32 141.96 48.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.052 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.522 ' CD ' ' HB3' ' A' ' 29' ' ' GLU . 9.4 ptpp? -57.07 -28.47 62.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.343 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.89 HD23 ' OE1' ' A' ' 29' ' ' GLU . 86.3 mt -64.38 -39.64 94.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.211 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -120.04 30.05 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.732 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.734 ' HE1' HD11 ' A' ' 63' ' ' LEU . 85.9 t80 -58.64 -49.47 77.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.777 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.581 ' O ' HG12 ' A' ' 95' ' ' ILE . 64.6 t -65.61 -43.01 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 110.735 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -63.15 -42.57 99.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.207 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.82 HD13 ' HB2' ' A' ' 86' ' ' ALA . 9.9 tt -62.55 -38.23 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.471 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.591 ' O ' ' CG ' ' A' ' 99' ' ' LEU . 42.6 pt -74.11 -25.0 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.548 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.56 -46.41 90.02 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.601 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.544 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.7 m-20 -89.85 -36.7 14.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.114 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.568 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 74.8 mmtt -65.55 -40.06 92.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.085 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.698 HD23 ' HZ1' ' A' ' 54' ' ' LYS . 83.0 mt -63.27 -40.62 97.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.837 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.15 -39.52 92.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.402 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.9 mmtt -62.73 -38.83 92.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.816 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.828 HG22 HD22 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -76.99 -42.96 32.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.674 -179.275 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 1.059 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.1 mm -61.76 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.31 -43.08 95.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.045 0.45 . . . . 0.0 110.407 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 109' ' ' LEU . 62.2 mtpt -62.88 -39.65 95.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 1.059 HG22 ' O ' ' A' ' 103' ' ' ILE . 16.9 tt -62.64 -27.1 42.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -66.4 -42.88 87.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.474 ' HG3' ' HG ' ' A' ' 109' ' ' LEU . 8.0 ptpp? -89.52 -34.79 16.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.793 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.563 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 3.7 pp -156.47 147.14 21.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.442 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.562 ' OD2' ' OD2' ' A' ' 112' ' ' ASP . 66.0 t0 -84.07 109.97 18.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.903 0.382 . . . . 0.0 110.473 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 1.08 HD21 ' CZ ' ' A' ' 59' ' ' TYR . 1.1 pp -45.13 -14.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.055 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.757 ' HA ' HD12 ' A' ' 80' ' ' LEU . 56.7 p-10 -65.28 -14.29 60.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.908 0.385 . . . . 0.0 110.333 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 98.1 mttt -64.9 -38.55 91.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.256 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.712 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 26.1 m-85 -75.61 123.76 26.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.169 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.497 ' HB2' ' HA ' ' A' ' 131' ' ' LYS . 99.4 mtt180 -63.47 -39.47 94.53 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.179 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -146.61 120.05 9.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 111.406 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.916 ' CG1' HG22 ' A' ' 82' ' ' VAL . 40.4 pt -130.91 150.82 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.581 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 48.3 t-20 -143.81 111.73 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.96 -178.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.889 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.84 156.06 22.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.318 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.611 ' CG2' ' CB ' ' A' ' 124' ' ' HIS . 5.2 m -122.65 161.24 24.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.521 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.553 ' O ' ' O ' ' A' ' 120' ' ' THR . 85.1 m-20 -38.04 167.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.94 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 122' ' ' LEU . 92.0 mt -60.86 -40.32 92.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.991 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.16 -34.4 77.96 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.611 ' CB ' ' CG2' ' A' ' 120' ' ' THR . 80.6 m80 -82.81 165.92 19.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.388 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.38 169.14 10.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.25 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 139' ' ' VAL . 16.1 tt -108.93 137.42 41.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 111.123 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -121.53 147.4 45.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.565 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.712 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 53.4 t -134.64 127.06 30.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.666 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.461 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.2 m-85 -110.96 132.06 54.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.375 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -59.81 -49.37 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.594 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 115' ' ' ARG . 3.3 ptmm? -118.04 8.49 12.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.06 0.457 . . . . 0.0 110.204 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.461 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 97.35 -21.68 44.85 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 109.646 -1.381 . . . . 0.0 109.646 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 93.0 m-85 -149.55 115.82 5.77 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 39.5 ttmt 174.77 159.49 0.18 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.924 0.393 . . . . 0.0 110.668 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.456 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 77.5 p -69.17 -20.56 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.999 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -90.55 118.46 30.02 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 14.7 ptmm? -151.1 159.02 44.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 128' ' ' CYS . 79.7 mm-40 -114.42 140.68 48.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.094 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 126' ' ' ILE . 11.0 p -136.01 142.38 39.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.876 0.37 . . . . 0.0 110.795 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.728 ' O ' HG22 ' A' ' 140' ' ' ILE . 89.2 mt . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.552 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.568 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 17.2 tpt180 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.817 0.341 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.532 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 54.4 tp10 -60.39 -41.37 93.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -67.66 -28.5 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.38 89.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.682 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.568 ' OE1' ' O ' ' A' ' 24' ' ' ARG . 26.5 mp0 -63.66 -39.82 95.31 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.17 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.564 ' HG2' ' NH2' ' A' ' 32' ' ' ARG . 98.2 mt-10 -62.72 -39.81 95.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.454 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.5 mtt -63.14 -40.67 98.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 98.4 m-20 -61.79 -41.87 98.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.965 0.412 . . . . 0.0 110.528 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.567 ' NH2' HD23 ' A' ' 89' ' ' LEU . 47.6 mtm105 -68.14 -39.15 82.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 86.5 mt -63.03 -42.08 99.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.435 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.5 pt-20 -68.71 -38.17 80.03 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.097 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 87.8 tttt -62.46 -45.46 92.96 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.654 ' C ' HD12 ' A' ' 40' ' ' LEU . . . -62.88 -38.68 91.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.425 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' HD1' HD12 ' A' ' 45' ' ' LEU . 93.3 t80 -58.49 -46.04 87.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.72 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.96 -41.19 95.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.004 0.43 . . . . 0.0 110.118 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.579 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 38.7 p30 -95.18 12.2 29.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.519 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 36' ' ' ALA . 1.1 mt -104.62 68.79 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.37 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.497 ' O ' ' NZ ' ' A' ' 54' ' ' LYS . 99.0 m-20 -65.08 136.55 56.87 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.073 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.807 ' HA3' ' HZ2' ' A' ' 54' ' ' LYS . . . 81.29 -0.97 86.87 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.406 -0.677 . . . . 0.0 111.406 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.632 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 96.9 m95 -119.46 139.88 51.34 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.251 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.591 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 81.8 m-85 -134.09 137.83 44.87 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.557 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 51' ' ' SER . 3.1 mp -122.65 145.18 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.987 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.537 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.8 p -119.77 132.95 55.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.369 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -66.12 -39.55 90.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.307 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.5 ' HG3' ' HD3' ' A' ' 49' ' ' LYS . 18.1 tpt -60.02 -45.36 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.209 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.616 ' O ' ' N ' ' A' ' 51' ' ' SER . 3.4 mptp? -123.48 39.18 4.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.616 ' C ' ' O ' ' A' ' 49' ' ' LYS . 28.4 t0 0.81 67.72 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.61 0.569 . . . . 0.0 111.535 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 49' ' ' LYS . 70.6 m -129.95 148.94 51.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.719 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -124.94 147.32 48.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.585 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 44' ' ' TYR . 53.5 p90 -147.81 160.05 43.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.031 0.443 . . . . 0.0 111.101 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.807 ' HZ2' ' HA3' ' A' ' 42' ' ' GLY . 15.3 tppt? -124.23 125.53 44.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.507 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -100.75 101.21 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.712 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.461 ' HD1' ' HG3' ' A' ' 54' ' ' LYS . 1.8 m-85 -98.51 -15.94 19.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.384 . . . . 0.0 110.575 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.33 -10.01 75.67 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.561 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 62.2 mtpt -115.23 -33.74 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.192 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.496 ' HD1' HG23 ' A' ' 61' ' ' ILE . 53.7 p90 -152.86 161.49 42.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.381 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -121.98 128.75 51.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.704 HG22 ' HB ' ' A' ' 82' ' ' VAL . 47.3 pt -127.95 137.23 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.947 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 20.7 ptp180 -140.18 159.16 42.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.11 0.481 . . . . 0.0 111.432 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.806 HD13 HG21 ' A' ' 94' ' ' ILE . 90.5 mt -109.25 147.28 32.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.371 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.4 p -148.14 162.19 39.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.983 0.421 . . . . 0.0 110.653 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -64.36 -177.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.639 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -59.2 -46.56 88.11 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.915 179.088 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.557 ' O ' ' NE ' ' A' ' 79' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.557 ' NE ' ' O ' ' A' ' 78' ' ' GLY . 6.1 mmp_? -120.06 161.02 21.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.451 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.878 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.6 OUTLIER -55.61 142.66 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.528 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 88.1 mt -117.22 128.87 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.943 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.83 HG22 ' CG1' ' A' ' 117' ' ' ILE . 48.7 t -118.68 121.22 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.733 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.574 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 33.3 m120 -105.73 121.49 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.061 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.084 ' CG1' ' HB3' ' A' ' 119' ' ' ALA . 3.9 mp -123.67 128.01 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.148 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -97.67 132.06 43.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.133 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.529 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -154.53 151.52 28.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.365 . . . . 0.0 110.84 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.58 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 40.7 t -67.26 144.53 55.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.683 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.5 ' HE3' ' OD2' ' A' ' 50' ' ' ASP . 62.6 mtpt -61.21 -39.13 89.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.211 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.567 HD23 ' NH2' ' A' ' 32' ' ' ARG . 89.2 mt -62.59 -39.02 92.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.706 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.58 ' OD1' ' O ' ' A' ' 87' ' ' SER . 53.3 p30 -99.55 23.76 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.556 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.92 ' O ' HG22 ' A' ' 94' ' ' ILE . 87.7 t80 -58.43 -48.81 79.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.81 -43.34 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.132 0.491 . . . . 0.0 110.228 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -60.7 -40.81 93.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.023 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.92 HG22 ' O ' ' A' ' 91' ' ' PHE . 7.4 tp -58.14 -29.48 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.453 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.581 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 31.9 mm -62.25 -46.18 97.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.652 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.92 -42.84 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.976 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.8 ' ND2' HD21 ' A' ' 122' ' ' LEU . 64.9 t30 -75.08 -50.97 14.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.732 0.301 . . . . 0.0 111.736 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.693 ' NZ ' HD21 ' A' ' 63' ' ' LEU . 39.2 ttpt -64.17 -43.05 96.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.978 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.729 HD21 HD11 ' A' ' 103' ' ' ILE . 10.4 tt -59.15 -42.67 91.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.102 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.82 -38.86 89.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.617 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.681 ' HB3' ' HZ3' ' A' ' 105' ' ' LYS . 50.6 mmtm -62.56 -39.32 93.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.259 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.97 HG22 HD11 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -71.58 -39.07 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.857 -178.449 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.775 ' O ' HG22 ' A' ' 106' ' ' ILE . 89.5 mt -61.34 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.71 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.55 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 88.8 tt0 -65.07 -43.08 93.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 110.533 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.681 ' HZ3' ' HB3' ' A' ' 101' ' ' LYS . 62.8 mttp -63.25 -41.37 99.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.085 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.775 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.3 tt -70.2 -29.81 41.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.639 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.5 -43.79 98.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.496 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.55 ' NZ ' ' HG2' ' A' ' 104' ' ' GLU . 38.4 mtmm -92.39 -29.46 16.3 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.226 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.645 HD13 ' CZ ' ' A' ' 114' ' ' TYR . 3.0 pp -156.74 144.16 19.0 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.28 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.73 144.72 50.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.042 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.97 HD11 HG22 ' A' ' 102' ' ' ILE . 90.8 mt -64.44 -35.85 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.542 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.561 ' OD1' ' O ' ' A' ' 58' ' ' LYS . 98.7 m-20 -61.03 -16.51 44.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.941 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.479 ' HD2' ' HB2' ' A' ' 109' ' ' LEU . 97.9 mttt -63.98 -38.47 91.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.001 0.429 . . . . 0.0 110.023 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.878 ' O ' HD11 ' A' ' 80' ' ' LEU . 49.0 m-85 -81.08 130.97 35.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.161 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.531 ' HD3' ' O ' ' A' ' 131' ' ' LYS . 60.4 ttt85 -63.58 -43.16 97.8 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.618 178.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -148.52 124.43 10.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.83 ' CG1' HG22 ' A' ' 82' ' ' VAL . 28.4 pt -126.94 150.64 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.574 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 48.6 t30 -144.89 114.49 7.2 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.819 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.084 ' HB3' ' CG1' ' A' ' 84' ' ' ILE . . . -83.01 152.31 25.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.881 179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 70.5 p -127.46 162.25 26.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.759 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.575 ' OD1' ' CB ' ' A' ' 124' ' ' HIS . 48.5 p-10 -59.23 175.19 0.33 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.8 HD21 ' ND2' ' A' ' 97' ' ' ASN . 96.3 mt -62.1 -40.46 95.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.504 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.69 -34.61 78.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.963 0.411 . . . . 0.0 110.641 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.579 ' ND1' ' O ' ' A' ' 125' ' ' ASP . 63.8 t-80 -93.17 164.04 13.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.829 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.579 ' O ' ' ND1' ' A' ' 124' ' ' HIS . 97.9 m-20 -98.26 157.78 15.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.669 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.899 ' O ' HG23 ' A' ' 139' ' ' VAL . 14.7 tt -109.23 138.82 34.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.054 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' A' ' 125' ' ' ASP . 0.6 OUTLIER -127.94 150.5 49.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.717 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.789 ' SG ' HG22 ' A' ' 117' ' ' ILE . 54.0 t -132.43 125.98 32.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.43 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.48 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -109.7 129.45 55.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.618 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -59.9 -48.97 79.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.446 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 37.9 ttmt -117.51 6.8 12.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.135 0.493 . . . . 0.0 110.027 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.48 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 96.9 -21.37 46.48 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.533 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 92.1 m-85 -151.25 115.5 5.05 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.534 ' HE3' ' HB3' ' A' ' 136' ' ' LYS . 31.7 ttpt 174.15 161.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.572 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 10.6 t -68.62 -19.15 64.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.534 ' HB3' ' HE3' ' A' ' 134' ' ' LYS . 88.0 tttt -92.96 117.23 29.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.952 0.406 . . . . 0.0 110.794 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -151.32 158.47 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.504 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 128' ' ' CYS . 88.9 tt0 -114.49 128.24 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.212 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.6 p -133.55 142.45 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.885 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.571 ' OXT' HG22 ' A' ' 126' ' ' ILE . 85.4 mt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 43.6 ttm180 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.803 0.335 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.582 ' OE2' HD11 ' A' ' 89' ' ' LEU . 16.4 tm-20 -61.15 -41.72 97.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.433 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -59.92 -48.76 80.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.403 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.555 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -61.36 -40.36 93.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.561 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 99.1 mm-40 -63.28 -39.38 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.374 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.559 ' CG ' ' HB3' ' A' ' 88' ' ' LYS . 16.5 tm-20 -63.01 -40.64 98.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.921 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.4 tpt -60.36 -47.96 83.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.156 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.64 ' HB2' ' HZ3' ' A' ' 35' ' ' LYS . 7.5 p-10 -69.42 -39.01 78.13 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.487 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -61.27 -40.15 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.423 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.827 HD11 ' CD2' ' A' ' 45' ' ' LEU . 60.7 tp -59.91 -39.76 86.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.61 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.45 -39.58 88.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.679 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.64 ' HZ3' ' HB2' ' A' ' 31' ' ' ASP . 13.8 mptt -61.72 -39.55 91.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.168 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.952 ' O ' HD13 ' A' ' 40' ' ' LEU . . . -61.13 -39.71 91.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.411 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.71 ' HD1' HD12 ' A' ' 45' ' ' LEU . 92.1 t80 -58.2 -46.61 85.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tm-20 -59.46 -39.59 84.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.661 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -97.16 15.84 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.12 0.486 . . . . 0.0 110.109 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.952 HD13 ' O ' ' A' ' 36' ' ' ALA . 1.5 mp -109.96 72.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.786 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.1 129.12 38.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.04 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.628 ' O ' ' CE3' ' A' ' 43' ' ' TRP . . . 82.53 2.16 90.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.414 -0.675 . . . . 0.0 111.414 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.637 ' CZ3' ' CZ ' ' A' ' 56' ' ' PHE . 9.3 m95 -123.08 147.34 46.83 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -135.44 145.43 47.21 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.525 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.827 ' CD2' HD11 ' A' ' 33' ' ' LEU . 2.6 mp -129.91 145.3 51.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.287 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.1 m -118.48 129.05 55.15 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.833 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.3 p -81.06 -28.23 35.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.8 ptp -50.75 -29.87 12.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.626 ' O ' ' C ' ' A' ' 50' ' ' ASP . 64.1 tttm -148.64 67.39 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.564 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 95.6 m-20 0.87 68.11 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.712 0.632 . . . . 0.0 111.294 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.7 t -150.93 148.71 28.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.206 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.548 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -127.32 152.12 47.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.792 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.544 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 53.5 p90 -143.76 157.74 44.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.03 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.62 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 29.6 mmtp -121.15 145.72 47.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.474 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -114.39 104.26 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.987 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.637 ' CZ ' ' CZ3' ' A' ' 43' ' ' TRP . 97.0 m-85 -96.66 -14.84 21.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.009 0.433 . . . . 0.0 110.276 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.13 -12.03 67.6 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -115.86 -28.08 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.605 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 1.074 ' CE2' HD21 ' A' ' 111' ' ' LEU . 53.0 p90 -154.46 160.92 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.819 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -114.72 127.63 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.74 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.702 HG22 ' HB ' ' A' ' 82' ' ' VAL . 43.6 pt -129.27 138.97 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.95 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 9.2 ptm180 -134.77 157.07 47.68 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.154 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.649 HD11 HD12 ' A' ' 84' ' ' ILE . 8.1 mp -106.83 146.78 30.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.033 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 90.9 p -148.16 163.23 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.996 0.427 . . . . 0.0 110.913 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.449 ' CG ' ' H ' ' A' ' 66' ' ' HIS . 52.0 t30 -56.35 -168.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.621 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.544 ' O ' ' HD2' ' A' ' 85' ' ' LYS . 62.5 m170 -61.68 -39.7 92.35 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.623 179.008 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -129.44 153.63 47.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.61 0.243 . . . . 0.0 110.465 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.773 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.4 OUTLIER -55.98 139.09 47.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.95 127.39 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.701 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.933 HG22 ' CD1' ' A' ' 117' ' ' ILE . 53.6 t -116.53 123.13 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.813 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.565 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 84.8 m-20 -103.87 123.16 46.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.29 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.716 HG12 ' HB3' ' A' ' 119' ' ' ALA . 84.6 mt -119.27 126.3 75.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.538 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.544 ' HD2' ' O ' ' A' ' 66' ' ' HIS . 57.9 mtmt -101.97 123.48 45.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.369 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.497 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -161.39 151.95 17.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.536 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.3 p -71.75 159.58 34.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.251 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.559 ' HB3' ' CG ' ' A' ' 29' ' ' GLU . 98.3 mttt -62.83 -40.1 96.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.353 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 89' ' ' LEU . 7.7 mp -63.83 -38.56 91.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.428 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -99.33 17.72 19.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.521 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.758 ' CE2' HD21 ' A' ' 45' ' ' LEU . 87.9 t80 -57.98 -49.22 77.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.544 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 95' ' ' ILE . 8.0 p -71.44 -33.13 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.073 0.463 . . . . 0.0 110.307 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.42 -39.38 94.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.245 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 91' ' ' PHE . 7.1 tp -65.92 -36.76 78.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.497 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 92' ' ' VAL . 44.1 pt -75.38 -24.94 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.879 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.577 ' OE1' ' OD1' ' A' ' 97' ' ' ASN . 16.5 tm-20 -62.05 -45.58 92.91 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.477 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.577 ' OD1' ' OE1' ' A' ' 96' ' ' GLU . 86.4 m-20 -90.86 -36.46 14.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.821 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.897 ' NZ ' ' HB2' ' A' ' 119' ' ' ALA . 59.1 tptt -64.34 -43.43 94.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.967 0.413 . . . . 0.0 110.338 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.577 HD11 ' HB ' ' A' ' 95' ' ' ILE . 85.9 mt -61.89 -41.37 97.81 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.459 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.23 -39.47 94.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.6 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.746 ' C ' ' HZ3' ' A' ' 105' ' ' LYS . 34.7 mmtp -65.72 -40.45 92.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.862 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 99' ' ' LEU . 45.4 pt -72.12 -39.14 64.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.977 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 99' ' ' LEU . 31.1 mm -62.75 -45.57 98.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.826 0.346 . . . . 0.0 110.43 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.35 -44.27 91.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.746 ' HZ3' ' C ' ' A' ' 101' ' ' LYS . 37.8 mtmm -63.4 -40.6 97.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.534 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 79.9 mt -61.95 -44.48 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.797 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.64 -39.61 88.91 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.317 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -87.45 -31.04 20.24 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.983 HD13 ' OH ' ' A' ' 114' ' ' TYR . 2.8 pp -157.42 138.68 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.726 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.533 ' HB3' ' OD1' ' A' ' 112' ' ' ASP . 99.0 m-20 -65.65 138.61 58.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.35 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 1.074 HD21 ' CE2' ' A' ' 59' ' ' TYR . 3.4 pp -80.03 -21.04 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.048 0.452 . . . . 0.0 110.146 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.533 ' OD1' ' HB3' ' A' ' 110' ' ' ASP . 60.0 p30 -71.22 -12.86 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.5 ' HG2' ' HB2' ' A' ' 110' ' ' ASP . 31.6 mmmt -64.41 -39.2 93.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.25 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.983 ' OH ' HD13 ' A' ' 109' ' ' LEU . 9.1 m-85 -75.06 133.86 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.241 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 130' ' ' TYR . 57.5 mmm-85 -63.58 -39.64 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.928 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.445 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 94.3 t80 -145.87 126.53 14.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.105 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.984 HG22 ' HB3' ' A' ' 128' ' ' CYS . 26.6 pt -127.38 151.26 34.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.363 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.565 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 64.9 t30 -147.72 139.17 23.74 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.875 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.897 ' HB2' ' NZ ' ' A' ' 98' ' ' LYS . . . -112.33 154.36 25.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.995 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.576 ' O ' ' O ' ' A' ' 121' ' ' ASN . 71.2 p -127.37 161.33 28.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.467 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.576 ' O ' ' O ' ' A' ' 120' ' ' THR . 55.9 t30 -39.28 169.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.461 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 122' ' ' LEU . 92.4 mt -60.96 -40.34 92.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.409 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.79 -34.1 77.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.105 0.479 . . . . 0.0 109.939 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.547 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 66.3 m170 -78.55 163.46 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.695 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.518 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.0 m-20 -98.04 162.78 13.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.409 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.808 ' O ' HG23 ' A' ' 139' ' ' VAL . 16.4 tt -109.12 136.22 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.532 ' NZ ' ' CE1' ' A' ' 129' ' ' TYR . 10.3 ptmm? -145.87 141.59 27.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.77 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.984 ' HB3' HG22 ' A' ' 117' ' ' ILE . 72.0 m -131.53 150.65 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.532 ' CE1' ' NZ ' ' A' ' 127' ' ' LYS . 98.9 m-85 -117.83 141.97 47.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.355 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.514 ' O ' ' HG2' ' A' ' 115' ' ' ARG . 76.0 m-85 -63.4 -40.36 97.0 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.706 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.499 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 16.8 ptpt -117.68 9.97 13.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.982 0.42 . . . . 0.0 110.435 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.445 ' HA2' ' HB3' ' A' ' 116' ' ' PHE . . . 91.63 -12.86 68.2 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.517 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 83.5 t80 -160.91 116.42 2.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' A' ' 135' ' ' THR . 59.8 tptt 174.83 161.06 0.21 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.391 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.539 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 11.4 t -67.7 -10.11 49.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.132 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.452 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 75.5 mmtt -101.49 119.82 39.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.427 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 64.9 pttt -150.4 158.74 44.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 127' ' ' LYS . 52.5 tp10 -109.16 129.31 55.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.282 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.1 p -133.68 139.77 48.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.634 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.788 HD12 HG23 ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.548 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 25.1 ptp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.64 95.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -153.49 161.31 42.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.933 0.396 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.24 -10.95 73.58 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.591 ' O ' ' C ' ' A' ' 6' ' ' SER . 64.8 mttp -117.16 -19.63 9.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 0.0 110.428 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.591 ' C ' ' O ' ' A' ' 5' ' ' LYS . 2.8 m 12.13 -105.21 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.576 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.604 ' N ' ' HD2' ' A' ' 7' ' ' ARG . 2.4 mpt_? -62.23 -40.16 95.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.074 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.587 ' N ' ' O ' ' A' ' 5' ' ' LYS . 97.9 m-85 -89.71 87.73 7.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.402 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.95 -39.38 94.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.443 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -149.35 150.78 33.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.16 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.658 ' CD2' ' NH2' ' A' ' 14' ' ' ARG . 98.7 m-85 -71.68 97.4 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.004 0.431 . . . . 0.0 110.452 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -62.13 -41.98 98.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.084 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -73.96 66.44 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.139 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.658 ' NH2' ' CD2' ' A' ' 11' ' ' TYR . 90.7 mmt-85 -130.97 145.97 52.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.514 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 87.0 p -70.74 -20.79 62.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.797 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.638 ' CD1' ' O ' ' A' ' 14' ' ' ARG . 93.7 m-85 56.31 27.74 12.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.603 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.508 ' O ' ' HD2' ' A' ' 18' ' ' ARG . 54.4 p30 -83.39 178.33 8.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.761 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.508 ' HD2' ' O ' ' A' ' 17' ' ' ASN . 31.1 mmm180 -135.44 148.47 49.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.1 t -65.61 139.17 58.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.521 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -128.97 28.24 5.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm -128.44 147.86 50.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.498 ' HG2' ' H ' ' A' ' 25' ' ' GLU . 20.1 pm0 -75.81 155.29 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.427 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -64.05 -24.05 67.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HB3' ' HG3' ' A' ' 22' ' ' GLN . 23.6 tpp180 -60.49 -44.85 95.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.732 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' H ' ' HG2' ' A' ' 22' ' ' GLN . 88.9 tt0 -61.36 -43.87 98.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.496 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -64.4 -40.5 95.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.52 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.03 98.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.466 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.04 -41.2 97.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.201 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HG2' HD13 ' A' ' 89' ' ' LEU . 98.5 mt-10 -63.82 -39.12 93.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.45 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 ttp -60.28 -45.93 91.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.772 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.43 -41.97 98.02 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.248 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.518 ' C ' ' HD2' ' A' ' 32' ' ' ARG . 8.2 tmm_? -63.15 -43.0 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.024 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.576 HD11 ' CD2' ' A' ' 91' ' ' PHE . 63.0 tp -61.7 -44.11 97.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.817 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.13 -42.11 97.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.467 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -60.62 -43.55 97.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.521 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.758 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.15 -40.35 93.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.719 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.977 ' CD1' HD11 ' A' ' 45' ' ' LEU . 31.2 m-85 -66.09 -36.78 84.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.798 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.45 -40.91 92.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.519 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -96.44 6.93 47.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.686 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.034 HD12 ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -95.84 99.79 11.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 0.0 110.709 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.7 t0 -66.87 132.63 48.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.787 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.579 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 86.63 8.35 77.11 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.67 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 1.034 ' CD1' HD12 ' A' ' 40' ' ' LEU . 95.5 m95 -116.95 139.49 50.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.813 0.339 . . . . 0.0 110.248 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 67.3 m-85 -135.08 147.89 49.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.973 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.977 HD11 ' CD1' ' A' ' 37' ' ' PHE . 94.0 mt -120.36 139.8 52.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.655 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' A' ' 49' ' ' LYS . 40.3 t -120.38 128.68 53.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.355 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.5 p -66.42 -36.63 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.761 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.2 ttt -61.05 -45.42 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.851 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.624 ' O ' ' C ' ' A' ' 50' ' ' ASP . 23.2 pttp -117.14 39.48 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.771 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.624 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.4 t0 -3.3 74.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.62 0.575 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 49' ' ' LYS . 94.0 p -153.18 163.53 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.711 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.921 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -125.01 149.45 47.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.728 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.2 p90 -149.81 160.72 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.654 ' CE ' ' CZ ' ' A' ' 56' ' ' PHE . 26.3 ttpt -133.21 129.85 38.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.053 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.559 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 59.5 p30 -106.1 138.57 42.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.965 0.412 . . . . 0.0 111.025 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.654 ' CZ ' ' CE ' ' A' ' 54' ' ' LYS . 90.0 m-85 -102.31 -0.65 32.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.252 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.36 -9.8 76.35 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 99.4 mttt -114.62 -28.75 7.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 110.44 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 1.135 ' CE2' HD21 ' A' ' 111' ' ' LEU . 53.2 p90 -155.0 161.27 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.527 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.818 ' O ' HD12 ' A' ' 81' ' ' ILE . 88.8 tt0 -112.15 128.9 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.946 0.403 . . . . 0.0 111.158 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.685 HG22 ' HB ' ' A' ' 82' ' ' VAL . 48.1 pt -129.0 138.44 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.841 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.611 ' C ' HD12 ' A' ' 63' ' ' LEU . 17.2 ptm180 -133.73 153.87 51.38 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.999 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.792 HD11 HD12 ' A' ' 84' ' ' ILE . 11.1 mp -115.25 151.71 34.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.883 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.2 p -143.14 161.85 37.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.939 0.399 . . . . 0.0 110.899 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.508 ' ND2' ' HE3' ' A' ' 88' ' ' LYS . 10.6 t-20 -61.05 -164.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.956 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -61.14 -24.31 66.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.432 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.8 p -88.6 129.49 35.48 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.063 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.653 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -114.91 18.4 16.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -70.34 -12.18 61.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -106.3 2.61 26.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.726 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.653 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 22.0 ptmt -64.32 -24.45 67.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.77 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -84.32 140.15 31.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.637 ' CE1' ' O ' ' A' ' 75' ' ' LEU . 32.9 p80 -142.67 158.05 44.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.559 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.659 ' OD1' HD13 ' A' ' 75' ' ' LEU . 59.4 p30 -101.34 10.19 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.659 HD13 ' OD1' ' A' ' 74' ' ' ASP . 7.5 mp -112.37 129.88 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.832 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 50.8 mp0 -119.91 138.52 53.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.426 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.55 ' OD1' ' OE1' ' A' ' 60' ' ' GLU . 34.5 m120 -98.54 2.98 48.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.786 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.96 2.96 90.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 1.8 mpt_? -118.35 160.22 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.606 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.682 HD11 ' O ' ' A' ' 115' ' ' ARG . 0.3 OUTLIER -56.07 151.23 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.105 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 60' ' ' GLU . 10.8 tp -125.43 140.85 47.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.977 0.417 . . . . 0.0 110.592 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.924 HG22 ' CD1' ' A' ' 117' ' ' ILE . 60.4 t -121.02 125.66 74.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.483 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.555 ' HB2' ' OD1' ' A' ' 118' ' ' ASN . 98.5 m-20 -99.91 117.11 33.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.793 HG12 ' HB3' ' A' ' 119' ' ' ALA . 83.4 mt -117.76 127.11 75.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.084 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.619 ' CD ' ' HB2' ' A' ' 68' ' ' ALA . 37.9 mtmm -112.23 128.61 56.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.202 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.682 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -160.18 152.67 20.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.0 m -71.62 149.35 45.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.247 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' HE3' ' ND2' ' A' ' 65' ' ' ASN . 98.3 mttt -62.1 -39.93 94.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.491 HD12 ' NH2' ' A' ' 32' ' ' ARG . 62.3 tp -62.43 -42.22 99.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.404 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -99.55 15.54 26.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.565 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.661 ' O ' HG22 ' A' ' 94' ' ' ILE . 91.3 t80 -58.33 -48.43 80.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.621 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 95' ' ' ILE . 56.3 t -61.34 -42.83 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.114 0.483 . . . . 0.0 110.181 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -62.29 -40.83 97.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.297 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.682 HG12 ' HB2' ' A' ' 86' ' ' ALA . 4.1 tp -64.32 -35.91 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 92' ' ' VAL . 21.2 pt -76.94 -29.17 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.927 -178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 92' ' ' VAL . 78.4 mm-40 -63.04 -43.58 98.26 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.7 m-20 -91.35 -34.76 14.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.817 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.655 ' HE2' ' HB2' ' A' ' 119' ' ' ALA . 28.9 tptp -64.06 -44.46 92.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.264 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 95' ' ' ILE . 2.3 mp -61.31 -41.65 97.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.754 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.73 -39.77 92.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.571 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 48.6 mmtm -63.28 -39.36 94.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.006 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.582 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -73.24 -41.13 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.48 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.813 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.5 mm -62.0 -46.45 96.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.69 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.37 -43.3 91.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.987 0.422 . . . . 0.0 110.578 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.5 mtpt -63.39 -40.77 98.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.131 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.813 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.3 tt -67.71 -31.0 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.706 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -62.16 -47.22 85.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.982 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.614 ' C ' HD23 ' A' ' 109' ' ' LEU . 58.7 mtmt -73.33 -39.3 65.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.152 0.501 . . . . 0.0 110.207 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.054 HD12 ' OH ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -157.14 142.56 17.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.433 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.45 142.79 58.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.653 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 1.135 HD21 ' CE2' ' A' ' 59' ' ' TYR . 1.4 pp -76.44 -11.76 59.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.351 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 113' ' ' LYS . 59.9 p30 -71.71 -13.22 61.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.551 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 98.3 mttt -64.71 -38.65 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.214 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 1.054 ' OH ' HD12 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -84.46 126.7 33.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.193 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.682 ' O ' HD11 ' A' ' 80' ' ' LEU . 60.6 ttt85 -62.77 -44.92 94.94 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.266 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.588 ' CE1' ' HG2' ' A' ' 115' ' ' ARG . 98.2 m-85 -129.87 126.11 37.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.939 HG22 ' HB3' ' A' ' 128' ' ' CYS . 37.8 pt -129.9 150.65 34.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.555 ' OD1' ' HB2' ' A' ' 83' ' ' ASN . 44.2 t30 -148.8 137.41 21.25 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.707 -178.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.793 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -109.94 150.2 28.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.648 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.599 HG21 ' CE1' ' A' ' 124' ' ' HIS . 57.9 p -127.02 161.51 28.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -42.75 151.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 1.072 HD12 ' N ' ' A' ' 123' ' ' GLU . 2.4 pp -46.51 -42.0 14.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.914 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 1.072 ' N ' HD12 ' A' ' 122' ' ' LEU . 88.7 tt0 -66.17 -36.26 82.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.08 0.467 . . . . 0.0 109.826 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.599 ' CE1' HG21 ' A' ' 120' ' ' THR . 62.8 t-80 -76.97 164.47 25.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.199 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.516 ' N ' ' ND1' ' A' ' 124' ' ' HIS . 98.3 m-20 -97.51 151.08 20.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.876 0.37 . . . . 0.0 110.367 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.922 ' O ' HG23 ' A' ' 139' ' ' VAL . 15.7 tt -115.13 141.94 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.836 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.519 ' HB2' ' CE ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -150.8 154.24 36.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.939 ' HB3' HG22 ' A' ' 117' ' ' ILE . 71.8 m -129.66 152.31 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.56 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.495 ' O ' ' HB3' ' A' ' 114' ' ' TYR . 98.4 m-85 -117.86 137.12 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.267 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.619 ' CE1' ' HG3' ' A' ' 136' ' ' LYS . 52.4 m-85 -63.82 -40.13 95.89 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.118 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.491 ' HD2' ' C ' ' A' ' 130' ' ' TYR . 14.7 mptt -117.36 7.21 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.978 0.418 . . . . 0.0 110.397 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.475 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.55 -13.53 66.35 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.526 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 86.9 t80 -162.5 116.23 1.75 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.548 ' HG2' ' N ' ' A' ' 135' ' ' THR . 65.2 tttp 174.02 164.47 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.199 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.548 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 82.2 p -69.05 -17.88 63.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.619 ' HG3' ' CE1' ' A' ' 130' ' ' TYR . 60.1 tptt -94.64 117.68 30.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.105 0.479 . . . . 0.0 110.808 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.519 ' CE ' ' HB2' ' A' ' 127' ' ' LYS . 22.2 ptmt -150.72 158.99 44.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.38 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 127' ' ' LYS . 79.4 mm-40 -113.26 141.89 46.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.579 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.953 ' O ' HD13 ' A' ' 140' ' ' ILE . 11.3 p -138.5 141.62 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.953 HD13 ' O ' ' A' ' 139' ' ' VAL . 25.1 mm . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.544 ' HB2' ' H ' ' A' ' 4' ' ' GLY . 10.4 mmt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.03 96.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -109.89 -19.6 13.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.536 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.544 ' H ' ' HB2' ' A' ' 1' ' ' MET . . . 81.29 0.88 89.66 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -122.4 -16.51 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.689 0.281 . . . . 0.0 110.761 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 68.1 m -66.37 143.87 56.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.578 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 6' ' ' SER . 3.0 mpp_? 71.91 -31.14 0.22 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.368 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.496 ' H ' ' C ' ' A' ' 6' ' ' SER . 98.0 m-85 -100.95 11.94 38.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.885 0.374 . . . . 0.0 110.085 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.542 ' O ' ' HD2' ' A' ' 12' ' ' ARG . 67.9 m-80 -60.42 141.37 56.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.481 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.1 p -62.78 -21.92 66.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.759 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.52 ' O ' ' O ' ' A' ' 12' ' ' ARG . 85.2 m-85 -63.3 -38.76 92.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.542 ' HD2' ' O ' ' A' ' 9' ' ' ASN . 7.3 mpt_? 51.04 168.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.499 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -73.37 147.24 44.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.344 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -66.97 143.02 57.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.2 t -148.6 146.23 28.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.584 ' HD2' ' CZ ' ' A' ' 18' ' ' ARG . 94.4 m-85 -101.0 57.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.669 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.02 -40.36 95.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.493 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.584 ' CZ ' ' HD2' ' A' ' 16' ' ' PHE . 10.9 mpt_? 45.9 46.47 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.454 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 32.0 t -108.42 121.8 45.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.529 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.669 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 98.3 m-20 41.82 -121.92 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' HG2' ' C ' ' A' ' 20' ' ' ASN . 9.2 ptmm? 171.6 -25.61 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.802 0.334 . . . . 0.0 110.692 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.486 ' O ' ' HD1' ' A' ' 26' ' ' TYR . 98.4 mt-30 -132.68 151.94 51.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.755 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.525 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 8.2 tmm_? -60.34 -40.17 89.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.208 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.516 HH21 ' CB ' ' A' ' 27' ' ' ALA . 7.6 tpm_? -59.84 -39.59 85.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.164 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -59.99 -42.31 93.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.669 ' CZ ' ' HB2' ' A' ' 20' ' ' ASN . 81.1 m-85 -62.57 -41.05 98.69 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.222 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' CB ' HH21 ' A' ' 24' ' ' ARG . . . -62.46 -40.69 97.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -62.36 -41.18 98.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.414 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.576 ' CB ' ' NZ ' ' A' ' 88' ' ' LYS . 78.3 mm-40 -62.87 -39.26 93.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.576 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.49 ' SD ' ' HD2' ' A' ' 88' ' ' LYS . 96.1 mmm -61.97 -41.44 98.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.5 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.3 -41.71 98.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.948 0.404 . . . . 0.0 109.952 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -63.49 -42.12 98.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.26 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' O ' ' HD1' ' A' ' 37' ' ' PHE . 62.2 tp -60.93 -44.41 97.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.393 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.79 -40.77 96.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.301 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -60.38 -41.87 94.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.711 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.726 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.48 -41.06 93.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.68 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.124 ' CG ' HD11 ' A' ' 45' ' ' LEU . 40.4 m-85 -67.62 -34.8 77.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.841 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.1 -41.08 91.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.225 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -93.92 3.24 55.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.398 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.726 HD23 ' O ' ' A' ' 36' ' ' ALA . 1.1 mm? -103.08 93.74 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.74 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.487 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 98.8 m-20 -63.89 140.0 58.83 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.197 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 82.3 4.62 90.12 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.973 ' CH2' HG23 ' A' ' 95' ' ' ILE . 68.3 m95 -117.95 126.14 51.78 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 80.8 m-85 -139.49 148.85 43.24 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.61 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.124 HD11 ' CG ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -127.86 151.43 49.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.115 179.281 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.8 p -120.09 131.44 55.07 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.567 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -64.02 -43.31 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.498 ' HE3' ' HG3' ' A' ' 49' ' ' LYS . 67.5 ttp -60.5 -45.79 92.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.343 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.626 ' O ' ' C ' ' A' ' 50' ' ' ASP . 99.7 mttt -113.25 38.4 2.88 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.007 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 66.9 t0 -2.24 72.83 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.597 0.561 . . . . 0.0 111.197 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.1 t -149.1 148.94 30.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.431 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.96 141.96 40.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 51.9 p90 -146.55 160.12 42.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.611 ' HE2' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -145.48 149.42 34.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.893 0.378 . . . . 0.0 110.853 -179.735 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -115.06 110.38 19.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.267 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.592 ' CE1' ' HG3' ' A' ' 54' ' ' LYS . 96.8 m-85 -89.82 -7.8 53.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.331 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.6 -9.71 76.82 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -115.16 -36.22 4.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.939 0.4 . . . . 0.0 110.493 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.643 ' CE2' HD11 ' A' ' 106' ' ' ILE . 52.3 p90 -156.84 161.18 39.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.437 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.589 ' OE1' ' ND2' ' A' ' 77' ' ' ASN . 88.8 tt0 -108.61 129.56 55.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.942 0.401 . . . . 0.0 111.076 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.77 HG22 ' HB ' ' A' ' 82' ' ' VAL . 45.9 pt -126.23 138.92 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.84 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.509 ' NH1' ' HD2' ' A' ' 72' ' ' TYR . 41.3 ptt180 -122.35 152.3 40.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.951 0.405 . . . . 0.0 110.895 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.095 HD22 ' CE1' ' A' ' 91' ' ' PHE . 1.1 tt -110.08 131.33 55.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.921 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.755 ' N ' HD23 ' A' ' 63' ' ' LEU . 47.1 t -146.82 152.21 38.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.562 ' HB2' ' NZ ' ' A' ' 71' ' ' LYS . 52.3 t30 -55.4 -144.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.766 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.437 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 31.0 p80 -58.2 -28.29 64.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.711 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.559 ' O ' ' OG ' ' A' ' 64' ' ' SER . 91.8 p -134.06 147.12 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.266 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' A' ' 64' ' ' SER . . . -115.13 -34.63 4.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.981 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.487 ' OD1' ' OD1' ' A' ' 74' ' ' ASP . 98.4 m-20 -61.93 -41.87 98.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.396 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.65 -44.66 95.7 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.915 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.562 ' NZ ' ' HB2' ' A' ' 65' ' ' ASN . 98.3 mttt -71.22 -38.75 71.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.022 0.439 . . . . 0.0 110.966 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.89 ' OH ' HD12 ' A' ' 75' ' ' LEU . 62.4 t80 -139.69 129.85 25.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.506 -178.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -70.35 142.47 52.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.358 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.487 ' OD1' ' OD1' ' A' ' 69' ' ' ASP . 98.7 m-20 -63.06 135.17 57.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.723 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.89 HD12 ' OH ' ' A' ' 72' ' ' TYR . 90.1 mt -134.54 146.93 50.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.535 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -98.84 113.75 26.02 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.353 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.589 ' ND2' ' OE1' ' A' ' 60' ' ' GLU . 98.5 m-20 -100.37 6.68 44.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.777 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.463 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . 80.59 2.6 89.86 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.591 ' NH2' ' OD2' ' A' ' 112' ' ' ASP . 30.9 mmm180 -130.14 157.98 40.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.321 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.762 HD11 ' O ' ' A' ' 114' ' ' TYR . 2.6 mm? -56.41 141.54 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.764 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.0 mt -116.95 124.36 72.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.667 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.828 HG13 HG22 ' A' ' 117' ' ' ILE . 89.4 t -122.63 127.24 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.229 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.522 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 53.4 p30 -113.88 153.08 29.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.562 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.792 ' HA ' ' HB3' ' A' ' 119' ' ' ALA . 89.6 mt -124.66 128.27 73.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.74 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 64' ' ' SER . 58.4 mtmt -101.77 120.32 40.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.34 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.85 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -158.9 155.75 28.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.1 p -71.35 161.31 31.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.576 ' NZ ' ' CB ' ' A' ' 29' ' ' GLU . 29.4 ttpp -60.86 -42.97 98.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.592 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.604 HD23 ' OD1' ' A' ' 90' ' ' ASN . 9.9 tt -62.69 -42.8 99.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.34 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.604 ' OD1' HD23 ' A' ' 89' ' ' LEU . 98.6 m-20 -101.07 16.43 25.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.324 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 1.095 ' CE1' HD22 ' A' ' 63' ' ' LEU . 78.1 t80 -58.26 -49.46 77.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.594 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.663 ' HA ' HD12 ' A' ' 95' ' ' ILE . 9.8 p -70.34 -33.61 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.962 0.411 . . . . 0.0 109.997 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -61.81 -42.22 98.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.61 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.85 HG12 ' HB2' ' A' ' 86' ' ' ALA . 4.3 tp -60.04 -29.72 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.038 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.973 HG23 ' CH2' ' A' ' 43' ' ' TRP . 88.0 mt -60.76 -46.45 96.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.263 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.548 ' OE2' ' OD2' ' A' ' 100' ' ' ASP . 15.8 tm-20 -63.82 -46.47 84.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.808 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.938 HD22 HD21 ' A' ' 122' ' ' LEU . 99.0 m-20 -70.52 -41.74 72.19 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.765 ' HG2' HG23 ' A' ' 84' ' ' ILE . 14.0 mptt -74.16 -41.25 61.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.308 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.757 HD13 HD11 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -61.42 -42.59 98.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.076 0.465 . . . . 0.0 109.946 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.548 ' OD2' ' OE2' ' A' ' 96' ' ' GLU . 98.9 m-20 -63.5 -39.26 93.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.6 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 33.6 mmtp -64.75 -39.53 93.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.71 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.757 HD11 HD13 ' A' ' 99' ' ' LEU . 43.1 pt -73.15 -36.07 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.886 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 99' ' ' LEU . 28.4 mm -62.13 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.091 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.06 -42.18 98.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.331 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.852 ' HD2' HD11 ' A' ' 109' ' ' LEU . 17.9 tppt? -60.43 -45.21 94.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.159 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.643 HD11 ' CE2' ' A' ' 59' ' ' TYR . 78.5 mt -61.58 -44.25 98.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.495 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.69 -39.84 89.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.332 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.658 ' HB2' HD23 ' A' ' 109' ' ' LEU . 75.5 mmtt -84.26 -34.04 23.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.038 0.447 . . . . 0.0 109.904 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.852 HD11 ' HD2' ' A' ' 105' ' ' LYS . 1.0 OUTLIER -157.19 138.64 13.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.21 179.607 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.72 140.46 58.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.858 0.361 . . . . 0.0 111.01 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.58 HD12 HD11 ' A' ' 106' ' ' ILE . 95.4 mt -70.15 -22.63 62.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.945 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.591 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 98.5 m-20 -61.35 -22.61 65.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.403 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -64.04 -39.48 94.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.172 0.511 . . . . 0.0 109.983 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.762 ' O ' HD11 ' A' ' 80' ' ' LEU . 83.4 m-85 -77.91 151.96 33.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.107 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.734 ' CA ' HD11 ' A' ' 80' ' ' LEU . 41.6 mmt180 -105.62 -25.86 12.09 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.75 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.643 ' C ' HD12 ' A' ' 117' ' ' ILE . 90.4 t80 -144.81 127.08 15.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.954 0.407 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.828 HG22 HG13 ' A' ' 82' ' ' VAL . 1.2 mp -131.09 135.45 59.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.44 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.54 ' O ' HG13 ' A' ' 126' ' ' ILE . 65.4 t30 -135.14 110.74 9.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.976 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.792 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -84.04 149.36 26.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.49 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.563 ' O ' ' O ' ' A' ' 121' ' ' ASN . 70.7 p -129.21 161.32 30.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.593 ' ND2' ' OE1' ' A' ' 123' ' ' GLU . 54.0 t30 -41.95 174.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.599 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.938 HD21 HD22 ' A' ' 97' ' ' ASN . 88.3 mt -61.24 -40.24 93.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.766 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.593 ' OE1' ' ND2' ' A' ' 121' ' ' ASN . 60.3 mp0 -66.47 -34.73 78.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 109.882 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.544 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 64.3 m170 -88.28 154.18 20.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.526 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.43 164.39 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 1.112 ' O ' HG23 ' A' ' 139' ' ' VAL . 20.7 tt -109.67 141.3 25.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.771 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.558 ' HB2' ' CE ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -129.49 152.94 48.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.098 0.475 . . . . 0.0 111.342 -179.144 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.641 ' SG ' HG13 ' A' ' 117' ' ' ILE . 84.2 m -123.82 148.16 46.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.26 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.415 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.7 m-85 -117.25 134.7 54.49 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.519 ' O ' ' HG2' ' A' ' 115' ' ' ARG . 83.5 m-85 -64.05 -41.33 97.43 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.121 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.455 ' HA ' ' HG3' ' A' ' 115' ' ' ARG . 75.5 mmtt -111.99 5.21 18.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.423 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.578 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 91.93 -14.37 64.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 84.2 t80 -162.4 115.37 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 39.4 ttmt 174.58 164.89 0.24 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.888 0.375 . . . . 0.0 110.591 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.523 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 96.1 m -66.52 -40.08 88.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.143 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.472 ' O ' ' HD1' ' A' ' 130' ' ' TYR . 75.6 mmtt -75.73 118.88 19.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.302 0.572 . . . . 0.0 111.114 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.558 ' CE ' ' HB2' ' A' ' 127' ' ' LYS . 22.0 ptmt -151.35 158.42 43.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.152 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.589 ' CD ' ' NZ ' ' A' ' 105' ' ' LYS . 88.6 tt0 -120.3 131.37 54.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 0.0 110.446 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 1.112 HG23 ' O ' ' A' ' 126' ' ' ILE . 8.0 p -131.51 140.83 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.688 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.451 HD11 ' HE2' ' A' ' 105' ' ' LYS . 86.8 mt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.584 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.59 153.0 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.668 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 61.09 5.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' HA3' ' CZ ' ' A' ' 12' ' ' ARG . . . -61.42 -42.13 99.7 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 9' ' ' ASN . 33.8 mmtp -64.72 -39.26 93.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.896 0.379 . . . . 0.0 110.549 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.495 ' CB ' ' HD1' ' A' ' 11' ' ' TYR . 18.7 t 64.23 -156.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.37 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.532 ' CD ' ' N ' ' A' ' 7' ' ' ARG . 11.5 mpt_? -62.38 -40.3 96.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.325 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.624 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 93.6 t80 -167.35 63.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.236 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 5' ' ' LYS . 49.8 t-20 53.33 42.87 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.497 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.1 m -87.36 -9.61 54.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.227 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.543 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 93.8 m-85 -129.85 150.33 51.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.184 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HB3' ' O ' ' A' ' 11' ' ' TYR . 38.5 ttm180 79.57 37.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.4 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -102.98 11.05 37.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -125.06 138.76 54.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.81 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 16' ' ' PHE . 70.6 m -96.58 -0.8 48.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' A' ' 15' ' ' SER . 93.2 m-85 71.47 177.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.442 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.501 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 58.1 t30 -158.09 155.5 29.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.89 0.376 . . . . 0.0 111.071 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 99.7 mtt180 69.82 -137.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.544 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.4 p -70.43 157.82 37.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.863 0.363 . . . . 0.0 110.811 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -116.15 -8.61 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.991 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -129.06 156.82 43.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.014 0.435 . . . . 0.0 111.043 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.419 ' HG3' ' H ' ' A' ' 24' ' ' ARG . 72.3 tp60 -51.76 142.87 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.572 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -61.0 -39.34 89.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.902 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' H ' ' HG3' ' A' ' 22' ' ' GLN . 72.3 ttp85 -60.0 -46.67 88.72 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.973 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -64.54 -41.44 96.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.159 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.486 ' CE1' ' NZ ' ' A' ' 88' ' ' LYS . 89.6 t80 -59.89 -48.4 81.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.503 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.4 94.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.521 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -62.2 -41.66 98.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.771 ' OE1' HD22 ' A' ' 89' ' ' LEU . 54.1 tp10 -61.97 -41.97 98.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.563 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.597 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 28.1 ttt -60.5 -44.79 95.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.573 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.53 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 98.5 m-20 -60.85 -38.48 85.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.507 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.59 ' NH1' ' CD1' ' A' ' 89' ' ' LEU . 79.8 ttt180 -59.84 -37.16 78.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.765 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.93 -39.21 84.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.334 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.597 ' OE1' ' O ' ' A' ' 30' ' ' MET . 53.3 mp0 -61.9 -39.94 93.72 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.104 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -60.97 -44.2 97.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.27 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.796 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.53 -39.15 89.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.525 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 76.7 t80 -57.99 -47.13 83.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.464 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.94 -39.26 81.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.776 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.23 8.18 43.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.191 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.869 HD12 ' CD1' ' A' ' 43' ' ' TRP . 1.7 mm? -113.03 86.82 2.45 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.911 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.565 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 59.4 p30 -67.9 141.05 56.51 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.22 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.45 6.99 88.8 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.651 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.869 ' CD1' HD12 ' A' ' 40' ' ' LEU . 99.7 m95 -118.4 140.75 49.37 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.692 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.666 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 79.8 m-85 -136.96 147.27 46.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.098 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.797 HD21 ' HB2' ' A' ' 52' ' ' ALA . 88.2 mt -116.87 141.88 47.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 68.9 m -115.68 129.03 56.33 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.368 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.0 t -65.91 -42.96 89.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.53 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.3 ptp -61.25 -29.7 70.0 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.959 0.409 . . . . 0.0 110.599 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.613 ' O ' ' C ' ' A' ' 50' ' ' ASP . 26.0 pttm -140.25 54.46 1.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.363 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.613 ' C ' ' O ' ' A' ' 49' ' ' LYS . 38.9 t0 -17.81 86.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.986 0.422 . . . . 0.0 110.263 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.604 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.5 t -148.39 147.07 28.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.947 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.954 ' HB3' ' HZ ' ' A' ' 91' ' ' PHE . . . -112.42 144.33 42.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.233 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.666 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.1 p90 -148.97 160.49 43.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.989 0.423 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.612 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . 87.3 tttt -131.5 133.83 45.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.873 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -107.35 128.75 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.69 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.573 ' HZ ' ' HZ3' ' A' ' 54' ' ' LYS . 27.4 m-85 -104.5 -14.11 15.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.58 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.99 -9.71 77.08 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 14.4 mptt -115.39 -31.92 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 0.0 110.162 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.909 ' CD2' HD22 ' A' ' 111' ' ' LEU . 51.8 p90 -152.51 159.85 43.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.331 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.552 ' HB2' ' NE ' ' A' ' 79' ' ' ARG . 88.9 tt0 -103.41 128.89 50.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.107 0.48 . . . . 0.0 111.458 -179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.623 HG21 ' HE1' ' A' ' 59' ' ' TYR . 44.1 pt -126.81 135.18 64.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.784 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.799 ' C ' HD12 ' A' ' 63' ' ' LEU . 9.9 ptp85 -142.32 157.53 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.49 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 63' ' ' LEU . 3.5 mp -119.73 144.47 47.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.902 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.1 p -147.87 163.75 35.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.008 0.432 . . . . 0.0 110.904 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.543 ' ND2' ' ND1' ' A' ' 66' ' ' HIS . 48.7 t30 -57.82 -161.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.607 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.543 ' ND1' ' ND2' ' A' ' 65' ' ' ASN . 53.3 p-80 -62.48 -19.91 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.617 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.2 m -93.63 125.57 38.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.355 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.72 ' HB1' ' ND2' ' A' ' 83' ' ' ASN . . . -114.36 23.25 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.911 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.0 p30 -68.6 -10.29 55.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.745 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -92.39 -0.4 57.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.467 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HB3' ' ND2' ' A' ' 83' ' ' ASN . 65.0 pttt -64.2 -21.22 66.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.538 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -74.32 148.18 41.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.615 ' NE2' ' NH2' ' A' ' 62' ' ' ARG . 97.6 m-70 -129.34 148.5 51.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.564 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.59 ' CB ' HD13 ' A' ' 75' ' ' LEU . 98.5 m-20 -61.27 -39.56 90.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.636 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.877 HD13 ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -145.82 162.03 38.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.86 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -73.29 146.1 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.516 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -93.9 0.47 56.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.52 2.2 90.42 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.552 ' NE ' ' HB2' ' A' ' 60' ' ' GLU . 41.5 ptt180 -134.99 161.17 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.755 0.312 . . . . 0.0 110.474 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.832 HD11 ' CA ' ' A' ' 115' ' ' ARG . 3.9 mm? -59.58 143.93 48.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.594 HG23 HH22 ' A' ' 62' ' ' ARG . 50.9 mm -116.8 126.54 74.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.862 HG13 ' CG2' ' A' ' 117' ' ' ILE . 78.0 t -118.42 124.33 72.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.759 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.72 ' ND2' ' HB1' ' A' ' 68' ' ' ALA . 64.5 t30 -106.75 112.04 24.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.389 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.759 HD13 ' HB3' ' A' ' 98' ' ' LYS . 87.5 mt -106.09 125.31 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.942 0.401 . . . . 0.0 110.738 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.547 ' HD2' ' HB2' ' A' ' 68' ' ' ALA . 59.9 mtpt -103.14 131.77 49.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.275 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.85 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -155.11 153.67 31.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.729 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 91' ' ' PHE . 69.8 m -68.83 149.72 48.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.36 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.556 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 62.2 mtpt -61.7 -40.4 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.546 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.771 HD22 ' OE1' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -64.56 -42.25 95.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.62 18.43 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.302 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.954 ' HZ ' ' HB3' ' A' ' 52' ' ' ALA . 93.1 t80 -58.32 -49.04 78.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.028 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.516 ' HA ' HD12 ' A' ' 95' ' ' ILE . 9.0 p -66.8 -37.3 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 0.0 110.159 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.438 ' N ' HG13 ' A' ' 92' ' ' VAL . 98.5 m-20 -62.39 -39.63 93.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.785 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.85 HG12 ' HB2' ' A' ' 86' ' ' ALA . 3.8 tp -63.29 -29.43 47.21 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.418 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.527 HG22 HD12 ' A' ' 99' ' ' LEU . 77.2 mt -61.57 -44.32 98.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.41 -47.46 86.0 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.379 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 34.7 m120 -75.18 -40.81 59.13 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.759 ' HB3' HD13 ' A' ' 84' ' ' ILE . 74.5 mmtt -65.78 -41.76 91.63 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.966 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.866 HD21 ' HZ2' ' A' ' 43' ' ' TRP . 74.8 mt -63.34 -40.22 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.326 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.56 -39.78 94.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.732 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.8 mmtt -63.54 -39.27 93.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.212 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.584 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.29 -43.18 31.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.759 -179.286 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.793 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.8 mm -61.75 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.39 -43.43 94.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.993 0.425 . . . . 0.0 110.569 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.4 mtpt -63.14 -40.83 98.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.172 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.793 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.0 tt -70.09 -30.5 44.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.662 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.77 -39.94 93.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -73.12 -38.22 66.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.153 0.501 . . . . 0.0 109.848 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.657 ' O ' HD12 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -156.98 149.62 23.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.691 -179.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.41 148.87 51.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.909 HD22 ' CD2' ' A' ' 59' ' ' TYR . 8.5 mp -68.41 -7.21 29.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.289 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.516 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 98.4 m-20 -60.54 -36.19 77.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.452 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.553 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 68.4 mttm -63.78 -39.05 93.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.386 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.807 ' O ' HD21 ' A' ' 80' ' ' LEU . 52.2 m-85 -76.08 146.11 39.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.485 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.832 ' CA ' HD11 ' A' ' 80' ' ' LEU . 10.6 mpt_? -113.87 -33.41 5.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.71 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.584 ' C ' HD12 ' A' ' 117' ' ' ILE . 87.3 t80 -139.23 126.55 21.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.01 0.433 . . . . 0.0 110.796 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.862 ' CG2' HG13 ' A' ' 82' ' ' VAL . 1.3 mp -126.87 137.31 58.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.26 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.534 ' O ' HG13 ' A' ' 126' ' ' ILE . 67.2 t30 -138.38 111.22 7.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.69 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -95.6 146.08 24.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.739 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.594 ' O ' ' NZ ' ' A' ' 98' ' ' LYS . 9.9 m -127.4 160.32 31.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.155 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 124' ' ' HIS . 32.6 m120 -38.41 150.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 123' ' ' GLU . 4.0 pp -46.87 -27.9 1.4 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.734 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.536 ' N ' HD12 ' A' ' 122' ' ' LEU . 99.0 mt-10 -66.08 -33.9 76.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.226 0.536 . . . . 0.0 109.574 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.557 ' HB2' ' CG2' ' A' ' 120' ' ' THR . 78.1 m80 -100.91 164.54 11.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.432 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -98.35 170.63 8.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.509 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.577 HD12 ' HB2' ' A' ' 119' ' ' ALA . 21.2 tt -108.7 135.47 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.049 0.452 . . . . 0.0 110.217 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.447 ' HG2' ' HB ' ' A' ' 139' ' ' VAL . 60.5 mtpt -124.64 148.08 48.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.363 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 138' ' ' GLU . 31.1 p -136.45 164.51 27.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.865 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.49 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.2 m-85 -117.28 138.71 51.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.063 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.62 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 69.1 t80 -59.87 -48.75 80.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.676 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.62 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 68.8 mttm -115.78 9.79 15.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.803 0.335 . . . . 0.0 110.565 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.582 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 93.82 -15.95 61.94 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.538 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 82.8 t80 -161.89 115.72 1.87 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 23.4 ttmm 173.13 163.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.452 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.516 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 12.3 t -68.32 -21.83 64.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.981 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -82.83 128.7 34.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.465 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -150.73 158.46 44.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.62 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.601 ' HB3' ' SG ' ' A' ' 128' ' ' CYS . 88.9 tt0 -126.61 129.56 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.526 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 126' ' ' ILE . 11.6 p -139.28 141.68 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.531 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.502 HD13 ' HD2' ' A' ' 101' ' ' LYS . 13.1 tt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.606 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 ttp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.95 92.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.648 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -60.71 -27.5 67.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.38 -40.16 98.26 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -89.83 -4.24 57.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.739 0.304 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m 64.46 -149.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.407 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -91.23 70.16 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.4 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 57.0 31.89 20.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.32 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.7 m120 54.18 39.5 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.367 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.5 t 44.26 -156.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.784 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -69.86 -15.53 63.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.533 ' NE ' HH12 ' A' ' 14' ' ' ARG . 78.5 ttt-85 -60.89 127.37 31.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.737 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -157.25 129.88 7.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.695 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.533 HH12 ' NE ' ' A' ' 12' ' ' ARG . 84.0 mtt85 -138.74 151.26 46.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.956 0.408 . . . . 0.0 111.005 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.484 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 9.8 t 77.32 174.87 0.19 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.899 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -130.54 150.17 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.628 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.504 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 99.2 m-20 -61.56 -39.56 91.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.609 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 99.5 mtt180 67.49 -159.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.407 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m 56.51 38.13 29.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.836 0.35 . . . . 0.0 110.41 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.44 -39.15 92.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.797 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.561 ' HG2' ' HG3' ' A' ' 22' ' ' GLN . 86.1 tttt -140.59 146.31 37.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.283 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.561 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 26.0 mt-30 65.24 34.07 8.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.53 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 4.5 tmt_? -62.51 -41.69 99.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.792 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -60.49 -25.61 66.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.522 ' OE1' ' HB3' ' A' ' 22' ' ' GLN . 98.9 mt-10 -62.7 -39.71 94.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.454 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.12 -38.71 91.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.74 95.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.475 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.45 -39.78 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.293 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.554 ' HG2' ' CD2' ' A' ' 89' ' ' LEU . 98.3 mt-10 -62.67 -39.33 93.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.403 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.0 mtt -62.35 -40.62 97.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.83 -41.24 97.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.28 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.493 ' HD2' ' HA ' ' A' ' 89' ' ' LEU . 43.6 ttm180 -63.07 -42.14 99.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.28 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.83 -43.28 98.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.498 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.8 -40.3 94.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.083 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -63.09 -39.59 95.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.118 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.917 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.54 -39.31 90.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.68 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.453 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 77.6 t80 -57.89 -47.48 82.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.45 -38.43 84.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.64 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -96.27 14.61 23.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.328 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.917 HD23 ' O ' ' A' ' 36' ' ' ALA . 2.3 mm? -117.98 88.3 2.89 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.769 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 67.5 t0 -67.42 131.7 46.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.079 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 85.63 8.91 79.5 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.029 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.62 ' CZ3' HD13 ' A' ' 63' ' ' LEU . 94.3 m95 -118.8 138.06 52.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.929 0.364 . . . . 0.0 110.793 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.663 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 81.6 m-85 -137.68 146.14 43.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.686 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 51' ' ' SER . 2.7 mp -120.69 142.53 49.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.496 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -120.26 129.32 54.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.679 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.586 ' OG ' ' CE ' ' A' ' 48' ' ' MET . 89.7 p -64.25 -31.18 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.669 ' SD ' ' N ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -62.51 -40.23 96.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.694 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.62 ' O ' ' C ' ' A' ' 50' ' ' ASP . 15.2 ptpt -122.41 39.42 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.604 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.62 ' C ' ' O ' ' A' ' 49' ' ' LYS . 68.1 t0 0.56 69.55 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.44 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 49' ' ' LYS . 97.4 p -154.81 164.19 39.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.665 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -121.49 150.89 40.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.156 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.663 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.1 p90 -145.9 159.76 42.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.187 0.517 . . . . 0.0 111.251 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.828 ' NZ ' HD11 ' A' ' 99' ' ' LEU . 87.3 tttt -133.06 130.86 39.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.457 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 67.0 t0 -109.7 106.22 15.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.673 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.64 ' HE1' HD13 ' A' ' 61' ' ' ILE . 34.3 m-85 -78.31 -14.56 59.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.272 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 92.99 -9.55 75.13 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' C ' ' NH2' ' A' ' 79' ' ' ARG . 2.1 mptp? -114.07 -30.62 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.037 0.446 . . . . 0.0 110.041 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.775 ' OH ' HD11 ' A' ' 106' ' ' ILE . 51.0 p90 -153.08 158.45 41.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.549 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.881 ' OE1' HD22 ' A' ' 75' ' ' LEU . 88.8 tt0 -99.9 130.0 46.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.112 0.482 . . . . 0.0 111.397 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.664 HD11 ' HD3' ' A' ' 54' ' ' LYS . 45.4 pt -130.11 138.21 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.038 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.579 ' NH2' ' OE2' ' A' ' 60' ' ' GLU . 10.0 ptp180 -139.83 156.65 46.62 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.464 -0.495 . . . . 0.0 111.296 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.728 HD11 HD12 ' A' ' 84' ' ' ILE . 8.1 mp -113.11 147.78 36.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.171 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 92.9 p -145.77 162.74 36.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.087 0.47 . . . . 0.0 110.892 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.52 HD22 ' NZ ' ' A' ' 88' ' ' LYS . 14.7 t-20 -69.25 -175.82 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.462 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.582 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 56.3 t-80 -58.96 -46.15 88.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.8 m -65.87 141.93 58.09 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.48 ' HA ' ' HB2' ' A' ' 71' ' ' LYS . . . -99.59 16.89 21.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.21 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.73 -40.01 90.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.537 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.622 ' O ' ' CE1' ' A' ' 73' ' ' HIS . 57.9 t30 -104.82 3.58 31.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.606 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.561 ' NZ ' ' CG ' ' A' ' 85' ' ' LYS . 25.0 ttmm -60.62 -44.52 96.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.356 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -74.69 139.01 43.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.048 0.451 . . . . 0.0 110.899 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.622 ' CE1' ' O ' ' A' ' 70' ' ' ASN . 78.7 m80 -138.09 150.08 46.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.374 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -89.78 102.15 14.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.302 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.881 HD22 ' OE1' ' A' ' 60' ' ' GLU . 67.3 tp -112.96 121.75 45.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.747 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -92.33 -3.82 54.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.786 ' ND2' HD11 ' A' ' 75' ' ' LEU . 99.5 m-20 -63.45 -34.95 78.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.995 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.89 -0.09 79.52 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.674 ' HG2' HD21 ' A' ' 75' ' ' LEU . 9.6 ptm85 -75.62 159.18 31.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.58 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.931 HD23 ' O ' ' A' ' 114' ' ' TYR . 3.0 tm? -60.54 130.14 45.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.496 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.83 ' N ' HD13 ' A' ' 80' ' ' LEU . 84.9 mt -115.36 124.66 72.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.051 HG13 HG22 ' A' ' 117' ' ' ILE . 88.1 t -118.18 124.79 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.156 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.576 ' OD1' ' CG ' ' A' ' 62' ' ' ARG . 83.6 m-20 -107.26 134.58 50.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.735 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.728 HD12 HD11 ' A' ' 63' ' ' LEU . 85.6 mt -119.78 125.59 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.391 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.582 ' CE ' ' O ' ' A' ' 66' ' ' HIS . 61.8 mtpt -98.28 131.11 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.568 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.982 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -160.09 153.19 21.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.012 0.434 . . . . 0.0 111.164 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.554 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.3 t -67.47 146.93 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.325 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.52 ' NZ ' HD22 ' A' ' 65' ' ' ASN . 63.1 mttp -60.5 -40.19 90.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 110.148 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.554 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 86.9 mt -63.48 -39.42 94.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.107 0.48 . . . . 0.0 109.957 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -104.12 19.26 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.247 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.897 ' O ' HG22 ' A' ' 94' ' ' ILE . 88.0 t80 -58.31 -48.74 79.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.811 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.625 HG23 HD21 ' A' ' 40' ' ' LEU . 7.5 p -66.42 -38.2 81.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.948 0.404 . . . . 0.0 110.399 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.454 ' N ' HG13 ' A' ' 92' ' ' VAL . 98.3 m-20 -62.87 -39.26 93.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.982 HG12 ' HB2' ' A' ' 86' ' ' ALA . 7.8 tp -61.89 -29.99 47.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.934 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.696 HD13 HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -70.82 -29.47 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.795 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.554 ' N ' HG13 ' A' ' 95' ' ' ILE . 88.9 tt0 -64.04 -44.37 92.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.986 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.533 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 27.7 t-20 -85.81 -47.37 9.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.698 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.678 ' HB3' HD13 ' A' ' 84' ' ' ILE . 73.8 mmtt -64.22 -41.28 97.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.521 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.866 ' CD2' HD11 ' A' ' 103' ' ' ILE . 7.5 tt -65.89 -40.75 91.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.22 0.534 . . . . 0.0 110.027 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.451 ' HA ' HD12 ' A' ' 103' ' ' ILE . 61.7 t0 -64.13 -40.4 96.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.584 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 73.4 mmtt -62.92 -40.06 96.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.941 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.615 ' O ' HD12 ' A' ' 106' ' ' ILE . 39.8 pt -72.43 -33.28 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.866 HD11 ' CD2' ' A' ' 99' ' ' LEU . 88.0 mt -62.25 -46.03 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.604 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.2 -42.45 96.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.214 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.846 ' HE2' HD12 ' A' ' 140' ' ' ILE . 98.1 mttt -62.39 -40.51 96.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.711 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.775 HD11 ' OH ' ' A' ' 59' ' ' TYR . 0.8 OUTLIER -62.9 -38.14 81.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.965 0.412 . . . . 0.0 111.002 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.9 -41.43 96.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.311 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.577 ' HB2' HD13 ' A' ' 109' ' ' LEU . 63.4 mttp -72.96 -37.79 66.96 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.149 0.499 . . . . 0.0 109.839 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.893 HD13 ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -156.35 178.48 10.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.547 ' H ' ' NZ ' ' A' ' 113' ' ' LYS . 97.7 m-20 -103.33 143.31 32.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.481 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.538 HD13 HG13 ' A' ' 106' ' ' ILE . 8.5 mp -63.75 -12.24 33.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 110.167 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -59.84 -40.88 90.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.573 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.547 ' NZ ' ' H ' ' A' ' 110' ' ' ASP . 37.4 mtmm -64.42 -39.4 93.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.996 0.427 . . . . 0.0 110.66 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.931 ' O ' HD23 ' A' ' 80' ' ' LEU . 92.8 m-85 -72.23 138.98 47.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.661 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.568 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 22.5 tpp180 -86.28 -44.5 12.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.223 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.617 ' C ' HD12 ' A' ' 117' ' ' ILE . 91.5 t80 -150.87 131.35 13.81 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.178 0.513 . . . . 0.0 111.771 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 1.051 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -128.24 137.96 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.299 178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 66.5 t30 -135.01 113.91 11.94 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.188 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.647 ' HB1' ' HZ2' ' A' ' 98' ' ' LYS . . . -82.75 152.2 25.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.657 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.571 ' O ' ' O ' ' A' ' 121' ' ' ASN . 63.9 p -126.77 161.44 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.347 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.571 ' O ' ' O ' ' A' ' 120' ' ' THR . 26.9 m120 -39.55 171.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.743 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.53 -40.33 91.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.37 -34.85 78.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.144 0.497 . . . . 0.0 109.662 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.535 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 79.6 m80 -83.3 157.94 22.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.656 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.531 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.0 m-20 -98.99 168.92 9.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.266 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 139' ' ' VAL . 19.9 tt -108.14 134.26 50.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.986 0.422 . . . . 0.0 110.05 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -119.64 139.42 52.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.629 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.622 ' SG ' HG13 ' A' ' 117' ' ' ILE . 84.3 m -121.53 141.0 51.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.479 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 97.9 m-85 -114.31 132.43 56.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.448 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.592 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 74.1 t80 -60.3 -48.75 80.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.501 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.592 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 99.6 mttt -115.65 8.76 15.1 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.394 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.548 ' N ' ' HB3' ' A' ' 115' ' ' ARG . . . 93.45 -15.07 63.83 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 81.6 t80 -162.39 115.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.554 ' HG2' ' N ' ' A' ' 135' ' ' THR . 65.0 tttm 175.39 164.88 0.31 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.49 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.554 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 82.3 p -68.86 -22.34 64.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.594 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 63.8 tttm -93.16 120.53 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.6 pttt -150.33 158.96 44.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.211 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -118.02 146.02 44.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.371 . . . . 0.0 110.699 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.6 p -139.95 142.37 32.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.536 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.846 HD12 ' HE2' ' A' ' 105' ' ' LYS . 89.3 mt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mtm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.807 ' HB1' ' O ' ' A' ' 5' ' ' LYS . . . -63.18 141.91 58.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.547 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -146.07 114.55 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.268 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.85 -0.59 77.39 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.807 ' O ' ' HB1' ' A' ' 2' ' ' ALA . 22.3 ptmt -159.43 160.31 34.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.33 -0.435 . . . . 0.0 110.316 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.495 ' OG ' ' HB2' ' A' ' 9' ' ' ASN . 89.5 p -150.93 38.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.418 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.599 ' O ' ' CB ' ' A' ' 8' ' ' TYR . 89.9 mmt-85 60.73 43.58 12.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.599 ' CB ' ' O ' ' A' ' 7' ' ' ARG . 40.4 t80 93.26 64.16 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.183 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.591 ' ND2' ' O ' ' A' ' 11' ' ' TYR . 65.5 t30 -61.85 135.79 57.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.619 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -60.47 -43.41 96.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.62 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.591 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 97.6 m-85 -110.23 134.31 52.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.454 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -139.74 138.41 35.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.662 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.03 130.74 47.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.344 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.43 HH21 ' HZ ' ' A' ' 16' ' ' PHE . 79.4 ttt180 -97.84 125.28 42.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.413 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t -149.39 147.57 28.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.649 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.43 ' HZ ' HH21 ' A' ' 14' ' ' ARG . 99.1 m-85 -116.87 141.63 47.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.666 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -84.86 82.14 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.251 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' HD3' ' C ' ' A' ' 18' ' ' ARG . 2.6 tmt_? -118.08 131.86 56.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 19.5 t 68.43 -143.24 0.11 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.721 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 62.93 18.07 10.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' HG2' ' HG3' ' A' ' 22' ' ' GLN . 22.9 ttmm -164.76 139.3 5.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.417 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.56 ' OE1' ' OE1' ' A' ' 25' ' ' GLU . 77.1 mt-30 55.71 41.99 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.011 0.434 . . . . 0.0 110.243 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -61.42 -39.62 91.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.222 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 2.4 mpt_? -59.94 -39.48 85.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.015 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.56 ' OE1' ' OE1' ' A' ' 22' ' ' GLN . 98.8 mt-10 -61.95 -39.76 93.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' HD1' ' O ' ' A' ' 22' ' ' GLN . 82.5 m-85 -64.76 -38.56 91.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.38 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.1 92.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.505 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.07 -39.91 96.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.341 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' HB3' ' A' ' 89' ' ' LEU . 98.2 mt-10 -62.94 -39.51 94.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.539 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.41 -40.79 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.566 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.97 -40.94 97.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.292 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.578 ' NH1' ' O ' ' A' ' 89' ' ' LEU . 79.8 ttt180 -62.02 -43.1 99.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.474 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.464 ' CD1' ' CD2' ' A' ' 91' ' ' PHE . 61.6 tp -60.98 -43.97 98.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.65 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.5 -39.91 95.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -61.08 -44.53 97.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.316 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.943 ' O ' HD13 ' A' ' 40' ' ' LEU . . . -61.57 -39.59 91.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.421 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.656 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 85.1 t80 -57.43 -46.71 83.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.319 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.83 -39.77 82.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.775 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -99.48 11.32 39.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.781 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.943 HD13 ' O ' ' A' ' 36' ' ' ALA . 2.3 mp -105.65 91.69 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.869 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 67.1 t0 -67.24 131.66 46.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.826 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 77.88 21.76 70.61 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.647 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 89.5 m95 -117.58 135.95 53.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.562 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 78.2 m-85 -138.5 146.1 41.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.756 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.656 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 2.8 mp -124.67 144.6 50.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.627 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 t -120.02 129.08 54.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.475 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -64.23 -41.2 97.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.0 mmt -63.09 -40.16 96.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.459 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.617 ' O ' ' C ' ' A' ' 50' ' ' ASP . 58.0 mtmt -114.79 38.88 3.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.253 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.0 t0 -10.36 79.28 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.094 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 49' ' ' LYS . 96.7 p -155.82 163.79 39.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.665 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.603 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -114.83 140.56 48.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.426 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.3 p90 -151.99 163.93 38.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.526 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.721 ' HD2' HD11 ' A' ' 61' ' ' ILE . 19.5 ptpt -137.1 155.95 48.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.7 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -108.01 102.97 12.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.299 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.616 ' CE1' ' HD3' ' A' ' 54' ' ' LYS . 1.6 m-30 -81.66 -16.1 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.231 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.79 -12.23 70.33 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.559 ' NZ ' ' OD2' ' A' ' 110' ' ' ASP . 63.4 mtpt -115.66 -33.2 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.001 0.429 . . . . 0.0 110.124 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 1.052 ' CZ ' HD12 ' A' ' 111' ' ' LEU . 42.1 p90 -156.6 160.7 39.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.241 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.599 ' OE1' ' ND2' ' A' ' 77' ' ' ASN . 88.6 tt0 -113.13 130.6 56.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.963 0.411 . . . . 0.0 111.11 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.721 HD11 ' HD2' ' A' ' 54' ' ' LYS . 44.8 pt -123.5 138.0 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.479 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.611 ' O ' HD12 ' A' ' 84' ' ' ILE . 8.9 ptm180 -139.67 157.35 45.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.458 . . . . 0.0 110.982 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.89 HD12 ' N ' ' A' ' 63' ' ' LEU . 1.8 mp -111.09 148.22 33.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.061 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.635 ' OG ' ' HB2' ' A' ' 68' ' ' ALA . 93.8 p -147.52 170.61 17.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 -179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 65' ' ' ASN . 53.0 p30 -76.62 -168.86 1.09 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.138 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 74.2 m80 -59.64 -39.62 84.97 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.3 m -102.9 93.8 5.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.088 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.635 ' HB2' ' OG ' ' A' ' 64' ' ' SER . . . -103.11 8.88 38.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.606 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.48 -39.1 92.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.293 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.512 ' OD1' ' HG2' ' A' ' 71' ' ' LYS . 54.2 p30 -83.68 -1.46 54.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.102 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.589 ' O ' ' NH1' ' A' ' 62' ' ' ARG . 16.7 ptpt -138.9 28.25 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.716 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.642 ' OH ' ' CE1' ' A' ' 116' ' ' PHE . 82.2 t80 -141.35 141.96 33.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.396 . . . . 0.0 110.779 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.593 ' NE2' HD11 ' A' ' 81' ' ' ILE . 53.0 p-80 -140.96 164.64 29.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.505 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.612 ' OD1' HD23 ' A' ' 75' ' ' LEU . 68.0 t0 -59.76 -46.72 88.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.435 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.981 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.3 pp 168.01 99.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.102 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.562 ' H ' ' CD2' ' A' ' 73' ' ' HIS . 99.5 mt-10 -109.51 -8.23 15.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.463 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.635 ' O ' ' CZ ' ' A' ' 79' ' ' ARG . 89.7 m-20 -93.12 -3.43 54.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.308 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.515 ' C ' ' HD3' ' A' ' 79' ' ' ARG . . . 80.03 1.6 87.82 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.635 ' CZ ' ' O ' ' A' ' 77' ' ' ASN . 1.9 mpp_? -127.12 161.8 27.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 110.231 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 114' ' ' TYR . 97.8 mt -59.94 145.09 47.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.953 0.406 . . . . 0.0 110.65 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.593 HD11 ' NE2' ' A' ' 73' ' ' HIS . 88.5 mt -121.32 127.32 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.386 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.059 HG22 ' HB ' ' A' ' 117' ' ' ILE . 85.3 t -112.71 119.0 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.763 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.566 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 50.1 t30 -95.41 107.35 19.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.633 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.917 HG13 ' HB3' ' A' ' 119' ' ' ALA . 3.6 mp -109.12 118.58 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.237 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 64' ' ' SER . 99.7 mttt -85.15 129.64 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.633 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.471 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -159.61 156.04 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.648 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.479 ' HB2' ' OD1' ' A' ' 90' ' ' ASN . 68.9 m -68.83 149.33 49.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.4 ' HG2' ' HB3' ' A' ' 29' ' ' GLU . 25.2 ttmm -60.49 -42.49 96.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.526 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.578 ' O ' ' NH1' ' A' ' 32' ' ' ARG . 3.3 pp -73.98 -20.32 60.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.466 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.482 ' ND2' ' CD1' ' A' ' 89' ' ' LEU . 34.3 m120 -101.65 11.67 38.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.779 ' CE1' HD22 ' A' ' 63' ' ' LEU . 91.7 t80 -59.3 -48.74 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.792 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 95' ' ' ILE . 57.2 t -62.36 -44.9 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.6 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -61.22 -42.88 99.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.991 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 91' ' ' PHE . 4.6 tp -61.74 -28.55 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.461 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 92' ' ' VAL . 87.9 mt -60.39 -45.21 96.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.302 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.554 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 53.3 mp0 -62.28 -43.7 98.22 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.348 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.563 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 29.6 t-20 -72.61 -48.99 35.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.928 0.394 . . . . 0.0 111.631 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.694 ' HD3' HG21 ' A' ' 84' ' ' ILE . 29.2 ttpp -64.24 -43.23 95.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.432 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.836 ' O ' HD23 ' A' ' 99' ' ' LEU . 2.5 tt -59.51 -42.69 92.79 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.38 -39.14 93.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.822 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.1 mmtp -64.24 -39.71 94.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.786 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 99' ' ' LEU . 42.9 pt -72.82 -39.32 59.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.912 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.584 HG12 HD23 ' A' ' 99' ' ' LEU . 32.6 mm -63.05 -47.51 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.536 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.559 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 43.8 tt0 -63.54 -43.47 97.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.527 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.813 ' HD2' HD21 ' A' ' 111' ' ' LEU . 40.9 ttmt -61.77 -43.93 97.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.766 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 1.029 HD11 ' OH ' ' A' ' 59' ' ' TYR . 78.8 mt -61.45 -43.31 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.458 . . . . 0.0 112.202 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.99 -41.45 92.09 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.464 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.58 ' C ' HD23 ' A' ' 109' ' ' LEU . 38.3 mtmm -91.5 -26.89 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.657 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.842 HD13 ' OH ' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -157.11 116.04 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.322 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.559 ' OD2' ' NZ ' ' A' ' 58' ' ' LYS . 57.0 t0 -62.98 139.52 58.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 1.052 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 87.2 mt -61.71 -38.13 86.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.16 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 80' ' ' LEU . 64.8 t0 -50.6 -23.31 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.08 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 33.0 mmtp -65.63 -38.05 88.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.94 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.842 ' OH ' HD13 ' A' ' 109' ' ' LEU . 53.4 m-85 -86.94 120.85 28.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.372 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.518 ' HD2' ' O ' ' A' ' 131' ' ' LYS . 43.3 ttm180 -63.9 -41.97 97.56 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.394 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.642 ' CE1' ' OH ' ' A' ' 72' ' ' TYR . 78.3 t80 -130.0 127.44 40.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 1.059 ' HB ' HG22 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -132.51 141.65 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.625 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.566 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 53.9 t-20 -148.81 111.57 4.8 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.58 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.917 ' HB3' HG13 ' A' ' 84' ' ' ILE . . . -83.61 155.25 23.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.549 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 47.3 p -126.7 161.58 27.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.276 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.569 ' O ' ' O ' ' A' ' 120' ' ' THR . 22.6 m120 -39.97 171.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.571 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.65 -40.13 90.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.523 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.6 -34.78 78.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.025 0.441 . . . . 0.0 109.899 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.527 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 99.0 m-70 -84.1 159.82 21.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.638 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.577 ' O ' ' OG1' ' A' ' 120' ' ' THR . 15.7 t0 -98.83 170.65 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.204 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 139' ' ' VAL . 18.6 tt -108.32 132.5 55.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.453 . . . . 0.0 110.305 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -120.57 139.02 53.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.848 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.859 ' SG ' HG23 ' A' ' 117' ' ' ILE . 69.0 m -127.7 147.8 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.361 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.471 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 77.9 m-85 -117.28 135.36 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.6 t80 -59.75 -49.4 77.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.768 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.518 ' O ' ' HD2' ' A' ' 115' ' ' ARG . 11.5 ptmm? -118.11 14.34 14.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.442 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.471 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.04 -12.69 68.36 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.8 t80 -162.01 116.16 1.87 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 56.6 tptt 174.36 160.44 0.18 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.475 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.52 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 82.8 p -69.15 -18.02 63.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.11 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.476 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 24.0 tptm -91.34 120.01 31.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.689 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.2 pttt -150.55 158.96 44.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.216 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.61 ' OE1' ' CE2' ' A' ' 114' ' ' TYR . 51.4 mp0 -120.38 133.71 55.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.317 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.574 ' CG1' ' OD2' ' A' ' 125' ' ' ASP . 86.2 t -126.86 128.73 71.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.567 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.499 ' O ' ' HD1' ' A' ' 3' ' ' TYR . 66.9 ttp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.59 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -61.97 -40.74 96.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.748 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.499 ' HD1' ' O ' ' A' ' 1' ' ' MET . 41.6 m-85 57.8 -71.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.712 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 59.08 -130.57 51.1 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.462 ' NZ ' ' CZ ' ' A' ' 8' ' ' TYR . 65.2 pttt -60.94 -22.43 64.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.698 0.285 . . . . 0.0 110.606 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t 60.99 59.12 2.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.614 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.447 ' HB3' ' HG3' ' A' ' 12' ' ' ARG . 89.4 mmt-85 57.97 43.18 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.638 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.462 ' CZ ' ' NZ ' ' A' ' 5' ' ' LYS . 92.2 m-85 62.82 27.95 16.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.705 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.7 t30 53.83 43.96 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.639 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.8 p -153.39 162.42 41.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' OH ' ' CD ' ' A' ' 13' ' ' LYS . 86.7 t80 -61.92 126.98 29.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.704 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HD2' ' O ' ' A' ' 11' ' ' TYR . 31.6 mmm180 -149.25 2.01 0.55 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.575 ' CD ' ' OH ' ' A' ' 11' ' ' TYR . 31.0 mttt 46.37 -161.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.286 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.531 HH12 ' NH2' ' A' ' 23' ' ' ARG . 6.5 ptm180 -125.77 95.66 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 110.519 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.6 m -130.24 149.77 51.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.495 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.25 133.18 55.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.492 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.0 m120 44.97 -135.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.377 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -61.48 -43.64 98.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.515 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.0 t 56.13 179.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.382 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -135.49 147.62 48.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -71.73 151.29 43.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.819 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 60.07 63.3 1.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.461 -0.495 . . . . 0.0 109.909 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.531 ' NH2' HH12 ' A' ' 14' ' ' ARG . 9.3 ptm180 -53.79 -22.36 9.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.895 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 62.6 ttm-85 -60.09 -46.01 91.02 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.574 ' OE2' ' CG ' ' A' ' 29' ' ' GLU . 16.5 tm-20 -64.73 -40.5 95.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.994 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -59.78 -48.41 81.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.536 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.8 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 30.7 mm100 -63.03 -39.68 95.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.334 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.574 ' CG ' ' OE2' ' A' ' 25' ' ' GLU . 78.5 mm-40 -62.54 -39.53 93.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.466 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.5 tpp -60.66 -45.47 94.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.326 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.528 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 98.4 m-20 -61.84 -39.98 93.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.259 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HD3' ' C ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -61.31 -42.11 98.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 179.648 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.675 HD11 ' CD2' ' A' ' 91' ' ' PHE . 4.2 tt -60.38 -45.37 93.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.03 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.49 -41.77 94.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.676 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.571 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -61.03 -37.99 84.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.923 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.35 -39.93 88.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.57 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.122 ' CG ' HD11 ' A' ' 45' ' ' LEU . 65.4 m-85 -64.44 -37.57 87.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.31 -38.86 88.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.347 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -98.1 8.45 44.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.751 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.923 HD23 ' O ' ' A' ' 36' ' ' ALA . 1.4 mm? -106.06 110.25 22.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.631 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.26 128.76 37.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.836 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 82.15 13.55 78.84 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 121.133 -0.556 . . . . 0.0 111.742 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.647 ' HZ2' HD21 ' A' ' 99' ' ' LEU . 90.3 m95 -118.11 128.52 54.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.959 0.409 . . . . 0.0 110.986 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 86.7 m-85 -140.52 151.08 44.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.683 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.122 HD11 ' CG ' ' A' ' 37' ' ' PHE . 2.6 mp -119.26 141.04 49.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 69.9 m -115.46 128.47 56.04 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.268 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 t -65.47 -45.06 85.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.679 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.4 ttp -59.23 -45.79 90.22 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.389 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -122.04 61.16 0.96 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.868 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.583 ' C ' ' O ' ' A' ' 49' ' ' LYS . 65.6 m-20 -24.88 90.01 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.233 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 49' ' ' LYS . 92.8 p -152.38 165.28 35.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.763 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.522 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -108.64 138.22 45.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.633 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.668 ' CZ ' ' OE2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -107.24 137.47 45.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.839 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.626 ' CE ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -135.38 96.6 3.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.245 179.275 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -98.25 105.92 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.352 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.692 ' HE1' HD11 ' A' ' 61' ' ' ILE . 89.5 m-85 -90.94 -8.36 49.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.03 0.443 . . . . 0.0 110.268 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.45 -10.74 73.53 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -115.38 -28.77 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.938 0.399 . . . . 0.0 110.404 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.88 ' CB ' HD21 ' A' ' 111' ' ' LEU . 52.5 p90 -155.79 161.89 40.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.575 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.668 ' OE2' ' CZ ' ' A' ' 53' ' ' TYR . 89.2 tt0 -113.33 123.76 50.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.732 HG23 ' HD1' ' A' ' 59' ' ' TYR . 47.4 pt -132.08 137.39 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.224 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.654 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 18.3 ptp180 -140.19 159.07 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.496 ' CB ' ' HE1' ' A' ' 91' ' ' PHE . 9.2 mp -105.44 153.29 21.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.345 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.53 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 94.3 p -148.8 163.46 37.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.067 0.461 . . . . 0.0 110.785 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.604 ' OD1' ' N ' ' A' ' 66' ' ' HIS . 16.3 t-20 -65.28 173.05 2.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.752 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.637 ' CD2' ' ND2' ' A' ' 121' ' ' ASN . 73.2 m80 -61.04 -38.93 87.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.7 m -63.83 149.6 46.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.039 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.491 ' CB ' ' HE2' ' A' ' 71' ' ' LYS . . . -84.33 12.71 6.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.219 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.24 -41.88 89.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.784 0.325 . . . . 0.0 110.409 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.497 ' HB2' ' HB2' ' A' ' 64' ' ' SER . 98.7 m-20 -92.1 2.43 56.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.479 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.491 ' HE2' ' CB ' ' A' ' 68' ' ' ALA . 25.2 ttmm -61.4 -41.48 97.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.013 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -67.4 143.93 56.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.92 0.39 . . . . 0.0 110.954 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.63 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 71.3 t60 -101.44 112.5 25.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.448 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.557 ' HB2' ' NZ ' ' A' ' 49' ' ' LYS . 68.2 t0 -60.93 -49.78 76.05 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.63 ' O ' ' NE2' ' A' ' 73' ' ' HIS . 67.0 tp -142.54 124.39 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.093 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.519 ' HA ' ' NE2' ' A' ' 73' ' ' HIS . 99.2 mt-10 -67.15 140.47 57.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.449 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.532 ' ND2' HH21 ' A' ' 79' ' ' ARG . 55.7 t30 -100.2 10.07 41.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.642 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.443 ' C ' ' HD3' ' A' ' 79' ' ' ARG . . . 81.82 2.01 90.41 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.532 HH21 ' ND2' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -125.91 158.93 33.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.825 0.345 . . . . 0.0 110.605 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.803 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.9 OUTLIER -56.42 147.21 22.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.0 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.2 127.44 74.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.588 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.921 HG22 ' CD1' ' A' ' 117' ' ' ILE . 50.6 t -116.25 121.65 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.805 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.574 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 64.9 t30 -97.03 108.91 21.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.71 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.793 HG12 ' HB3' ' A' ' 119' ' ' ALA . 84.4 mt -108.3 119.67 58.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.276 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 64' ' ' SER . 64.2 mttp -87.81 129.47 35.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.95 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.664 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -161.65 145.64 12.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.404 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.8 p -73.26 159.15 33.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.214 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.407 ' HE2' HD22 ' A' ' 65' ' ' ASN . 1.8 mptp? -63.15 -40.6 98.02 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.498 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.617 HD23 ' OD1' ' A' ' 90' ' ' ASN . 9.9 tt -63.88 -43.08 97.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.701 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.617 ' OD1' HD23 ' A' ' 89' ' ' LEU . 98.6 m-20 -99.78 11.79 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.603 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.72 ' O ' HG22 ' A' ' 94' ' ' ILE . 90.2 t80 -58.89 -48.68 80.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.739 ' HA ' HD12 ' A' ' 95' ' ' ILE . 57.6 t -61.93 -44.95 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.496 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -61.03 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.954 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.72 HG22 ' O ' ' A' ' 91' ' ' PHE . 3.9 tp -61.01 -28.59 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.181 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.841 ' O ' HD13 ' A' ' 99' ' ' LEU . 88.4 mt -60.64 -46.55 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.467 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.553 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 60.6 mp0 -63.06 -44.38 95.97 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.78 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.672 HD22 HD21 ' A' ' 122' ' ' LEU . 65.2 t30 -72.37 -46.3 55.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.834 0.349 . . . . 0.0 111.631 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.706 ' HG3' HG21 ' A' ' 84' ' ' ILE . 75.0 mmtt -65.53 -40.3 92.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.981 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.841 HD13 ' O ' ' A' ' 95' ' ' ILE . 9.4 mp -63.84 -43.24 96.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.14 0.495 . . . . 0.0 109.871 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.13 -39.41 94.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.762 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 48.4 mmtm -64.47 -39.47 93.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.587 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.568 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 44.2 pt -75.27 -39.22 42.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.091 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.548 ' N ' HG13 ' A' ' 102' ' ' ILE . 28.7 mm -62.04 -44.9 99.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.766 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.08 -42.67 99.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.257 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.864 ' HE2' HD12 ' A' ' 140' ' ' ILE . 98.1 mttt -62.41 -41.5 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.836 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.876 HD11 HD22 ' A' ' 111' ' ' LEU . 33.1 mm -62.97 -45.88 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-O 120.962 0.411 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.88 -42.37 98.98 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.699 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -74.3 -38.86 63.23 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.46 0.647 . . . . 0.0 109.936 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.674 HD13 ' OH ' ' A' ' 114' ' ' TYR . 3.0 pp -157.1 168.19 28.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.845 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.528 ' HB3' ' OD1' ' A' ' 112' ' ' ASP . 97.5 m-20 -85.4 128.34 34.68 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.506 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 1.04 HD23 ' N ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -79.32 -20.62 47.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.048 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 1.04 ' N ' HD23 ' A' ' 111' ' ' LEU . 59.3 p30 -69.14 -13.56 62.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.089 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 30.4 mtpp -64.67 -39.07 93.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.994 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.803 ' O ' HD11 ' A' ' 80' ' ' LEU . 7.9 m-85 -73.02 128.97 37.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.793 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.568 ' CG ' ' HA ' ' A' ' 131' ' ' LYS . 42.2 mmt180 -63.69 -39.6 94.73 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.662 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -146.98 125.13 12.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.995 0.426 . . . . 0.0 111.466 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.921 ' CD1' HG22 ' A' ' 82' ' ' VAL . 30.6 pt -129.67 150.54 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.574 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 63.1 t-20 -147.19 113.5 5.91 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.876 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.793 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.0 152.79 25.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.943 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.65 HG22 ' HB2' ' A' ' 124' ' ' HIS . 6.4 m -124.72 156.33 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 0.0 110.54 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.637 ' ND2' ' CD2' ' A' ' 66' ' ' HIS . 41.0 m-80 -38.28 169.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.597 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.672 HD21 HD22 ' A' ' 97' ' ' ASN . 90.1 mt -61.41 -40.08 93.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.547 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.7 -35.81 81.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.229 0.538 . . . . 0.0 109.593 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.65 ' HB2' HG22 ' A' ' 120' ' ' THR . 99.1 m-70 -86.34 165.15 16.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.294 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 125' ' ' ASP . 54.5 p30 -96.22 172.35 8.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.397 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.585 HD13 ' NZ ' ' A' ' 105' ' ' LYS . 15.2 tt -109.97 133.03 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.71 139.26 52.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.712 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.527 ' HB3' HG22 ' A' ' 117' ' ' ILE . 71.1 m -126.43 146.64 50.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.558 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.519 ' O ' ' HB3' ' A' ' 114' ' ' TYR . 98.4 m-85 -117.27 132.16 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.413 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -60.09 -49.11 78.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.643 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.568 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 17.6 ptmt -117.55 11.84 13.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.342 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.47 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 91.2 -12.06 70.29 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.514 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 87.8 t80 -162.37 116.73 1.82 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 133' ' ' PHE . 19.6 mtpt 171.52 165.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.9 0.381 . . . . 0.0 110.842 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 80.4 p -70.22 -22.0 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.435 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -88.57 120.64 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 65.1 pttt -150.74 158.73 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.537 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.443 ' OE2' ' OH ' ' A' ' 114' ' ' TYR . 99.5 mt-10 -110.25 139.14 45.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.31 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.4 142.27 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.759 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.864 HD12 ' HE2' ' A' ' 105' ' ' LYS . 80.8 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.578 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.644 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 24.6 ptp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.862 ' HB1' ' HB3' ' A' ' 6' ' ' SER . . . -62.73 -39.94 95.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.644 ' CD1' ' O ' ' A' ' 1' ' ' MET . 91.8 m-85 58.28 30.14 19.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.998 0.428 . . . . 0.0 110.081 -179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' C ' ' H ' ' A' ' 6' ' ' SER . . . 81.86 179.49 52.92 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 4' ' ' GLY . 63.6 mttp 64.3 -0.98 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.69 0.281 . . . . 0.0 110.606 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.862 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 96.0 p -70.54 -22.31 62.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.258 0.552 . . . . 0.0 109.585 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.49 ' NH1' ' HE1' ' A' ' 8' ' ' TYR . 47.4 mtm105 -63.19 -41.48 99.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.981 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.49 ' HE1' ' NH1' ' A' ' 7' ' ' ARG . 98.5 m-85 -124.93 108.37 11.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.954 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -74.63 149.0 40.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.267 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -61.29 -42.13 98.13 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.724 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -131.35 139.42 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.664 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.402 HH21 ' HA ' ' A' ' 8' ' ' TYR . 99.6 mtt180 -124.09 -6.11 7.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.679 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -94.36 -2.09 52.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.677 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.7 ptt85 -63.72 -21.9 66.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.029 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.8 m -121.81 145.62 47.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 111.026 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.623 ' CE2' ' O ' ' A' ' 17' ' ' ASN . 92.1 t80 -139.21 132.23 29.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.313 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.623 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 53.4 p30 -80.77 178.62 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.699 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -81.33 -10.41 59.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m 56.83 54.84 6.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.782 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.5 ' ND2' ' HD1' ' A' ' 26' ' ' TYR . 98.9 m-20 -61.58 151.54 32.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.635 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -61.3 -39.87 92.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.391 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -119.58 135.56 54.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.065 0.459 . . . . 0.0 111.152 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.46 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 4.6 tmt_? -62.49 -41.95 99.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.657 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.529 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 62.7 ttm-85 -59.87 -43.5 94.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.617 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.98 -41.8 97.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.945 0.402 . . . . 0.0 110.008 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.5 ' HD1' ' ND2' ' A' ' 20' ' ' ASN . 90.3 t80 -59.89 -49.07 79.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.238 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.29 95.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.54 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 24' ' ' ARG . 98.7 mm-40 -63.54 -39.87 95.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.685 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.58 ' OE1' ' NH2' ' A' ' 32' ' ' ARG . 54.2 tp10 -61.23 -44.02 97.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.275 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.1 ttt -61.9 -44.57 96.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.566 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 66.1 t0 -60.86 -48.73 80.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.079 0.466 . . . . 0.0 110.484 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.58 ' NH2' ' OE1' ' A' ' 29' ' ' GLU . 60.6 ttp180 -62.6 -45.21 93.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.87 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' HG ' ' HE1' ' A' ' 37' ' ' PHE . 60.4 tp -62.67 -45.29 93.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.633 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.5 pt-20 -65.02 -28.41 69.48 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.006 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 62.0 mtpt -63.22 -39.53 94.9 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.543 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.89 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.13 -41.12 96.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.357 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.022 ' CD2' HD11 ' A' ' 45' ' ' LEU . 84.7 m-85 -65.35 -38.84 91.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.597 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.23 -38.65 90.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -95.41 6.53 48.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.89 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -102.33 98.29 8.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.619 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.567 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 58.5 p30 -67.57 141.78 56.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.524 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.559 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 82.51 2.46 90.62 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 121.112 -0.566 . . . . 0.0 111.718 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.662 ' HZ2' HD21 ' A' ' 99' ' ' LEU . 94.3 m95 -117.83 135.12 54.29 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.526 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 74.4 m-85 -138.32 146.42 42.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.022 HD11 ' CD2' ' A' ' 37' ' ' PHE . 2.9 mp -126.3 148.14 49.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.515 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.9 p -119.08 135.65 54.54 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.4 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.5 m -67.55 -40.77 84.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.353 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.31 -40.63 96.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.533 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.607 ' O ' ' N ' ' A' ' 51' ' ' SER . 30.1 mmmt -121.51 49.57 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.072 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.3 m-20 -18.39 84.63 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.811 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.8 t -152.48 149.94 29.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.715 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.591 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -108.82 138.03 45.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.474 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.9 p90 -151.55 160.58 43.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.687 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.74 ' HZ3' ' HE1' ' A' ' 56' ' ' PHE . 21.3 ttpp -132.91 131.93 41.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.988 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -100.42 105.59 17.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.333 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.74 ' HE1' ' HZ3' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -89.01 -12.25 41.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.999 0.428 . . . . 0.0 110.354 179.1 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.48 -10.1 75.52 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.493 ' HE2' ' OD2' ' A' ' 112' ' ' ASP . 16.8 tptm -109.05 -40.23 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.02 0.438 . . . . 0.0 109.916 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.613 ' HE1' HG21 ' A' ' 61' ' ' ILE . 52.8 p90 -153.73 161.14 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.4 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.583 ' OE1' ' ND2' ' A' ' 77' ' ' ASN . 88.9 tt0 -107.43 129.97 54.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 111.16 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.697 HG22 ' HB ' ' A' ' 82' ' ' VAL . 49.4 pt -129.22 137.88 55.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.151 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.587 ' NH2' ' OG ' ' A' ' 51' ' ' SER . 17.8 ptm180 -140.02 157.53 45.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.017 0.437 . . . . 0.0 111.176 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 95' ' ' ILE . 8.3 mp -112.56 152.79 28.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.277 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.511 ' OG ' ' HB2' ' A' ' 68' ' ' ALA . 91.5 p -148.16 164.26 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.755 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -62.96 -163.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.497 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -59.1 -46.62 87.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.267 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.5 t -92.71 97.76 10.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' O ' ' HD2' ' A' ' 72' ' ' TYR . . . -92.41 -1.03 57.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.073 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.624 ' O ' ' CE2' ' A' ' 72' ' ' TYR . 67.8 t0 -60.23 -43.54 95.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.22 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -95.48 3.61 54.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.673 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.581 ' O ' ' NH2' ' A' ' 62' ' ' ARG . 75.5 mmtt -94.44 7.22 46.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.459 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.624 ' CE2' ' O ' ' A' ' 69' ' ' ASP . 18.1 p90 -140.15 163.35 32.95 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.638 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.571 ' CE1' ' HE2' ' A' ' 49' ' ' LYS . 80.0 m80 -124.0 150.15 45.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.008 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -82.23 73.26 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.754 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.808 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -139.84 124.9 18.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.348 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -84.35 135.3 34.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.518 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.734 ' OD1' HD21 ' A' ' 75' ' ' LEU . 98.6 m-20 -100.17 6.78 44.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.478 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.466 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . 80.74 1.09 89.09 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 78' ' ' GLY . 31.1 mmm180 -133.54 156.35 47.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.322 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.77 HD11 ' CA ' ' A' ' 115' ' ' ARG . 2.5 mm? -56.57 137.98 52.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.548 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.5 mt -118.64 125.88 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.91 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.966 HG13 HG22 ' A' ' 117' ' ' ILE . 84.5 t -121.42 124.61 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.058 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.534 HD22 ' CG ' ' A' ' 62' ' ' ARG . 32.5 m120 -108.6 136.58 47.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.863 ' HA ' ' HB3' ' A' ' 119' ' ' ALA . 86.6 mt -118.34 126.92 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.486 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.426 ' HG2' ' HB2' ' A' ' 68' ' ' ALA . 56.9 mtmt -101.54 123.67 45.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.608 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.033 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -160.16 151.05 18.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.505 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.4 p -71.73 160.42 32.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.264 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.35 -40.68 97.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.307 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.55 ' CD2' ' NH2' ' A' ' 32' ' ' ARG . 88.2 mt -64.21 -39.37 93.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.324 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.53 13.42 34.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.756 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CE2' ' CZ ' ' A' ' 37' ' ' PHE . 83.9 t80 -58.77 -49.1 78.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.769 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 95' ' ' ILE . 71.9 t -62.7 -45.61 98.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.264 0.554 . . . . 0.0 110.618 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.38 -39.77 95.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.125 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.033 HG12 ' HB2' ' A' ' 86' ' ' ALA . 6.1 tp -64.05 -36.34 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.4 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.702 HG22 HD21 ' A' ' 63' ' ' LEU . 40.4 pt -78.55 -26.99 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.789 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -62.12 -47.04 86.37 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.631 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.54 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 63.4 t30 -88.44 -38.75 14.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.696 ' HG2' HD13 ' A' ' 84' ' ' ILE . 17.8 tppt? -64.27 -43.01 96.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.335 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.662 HD21 ' HZ2' ' A' ' 43' ' ' TRP . 89.4 mt -62.48 -40.36 96.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.557 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.09 -38.91 93.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.573 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.2 mmtp -64.15 -39.91 95.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.594 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.573 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 43.7 pt -74.53 -39.92 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.705 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.548 ' N ' HG13 ' A' ' 102' ' ' ILE . 91.9 mt -62.76 -46.12 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.045 0.45 . . . . 0.0 110.161 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.581 ' HG3' ' NZ ' ' A' ' 108' ' ' LYS . 54.4 tp10 -63.07 -42.5 99.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.722 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.569 ' NZ ' ' CD ' ' A' ' 138' ' ' GLU . 25.2 ttmm -60.63 -43.0 98.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.833 ' CG1' HD13 ' A' ' 111' ' ' LEU . 76.8 mt -60.79 -42.75 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.826 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -58.8 -48.84 79.86 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.128 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.581 ' NZ ' ' HG3' ' A' ' 104' ' ' GLU . 37.7 mtmm -73.89 -37.16 64.78 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.568 ' O ' ' O ' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -155.37 126.96 7.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.172 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.03 144.94 56.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.833 HD13 ' CG1' ' A' ' 106' ' ' ILE . 7.9 mp -65.2 -11.91 45.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.073 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.493 ' OD2' ' HE2' ' A' ' 58' ' ' LYS . 98.4 m-20 -61.84 -27.53 68.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.449 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.566 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 98.0 mttt -64.02 -39.35 93.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.133 0.492 . . . . 0.0 109.924 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.742 ' O ' HD11 ' A' ' 80' ' ' LEU . 87.4 m-85 -80.98 153.73 27.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.35 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.77 ' CA ' HD11 ' A' ' 80' ' ' LEU . 10.7 mpt_? -107.96 -28.3 9.67 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.653 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.653 ' C ' HD12 ' A' ' 117' ' ' ILE . 90.8 t80 -143.08 125.74 15.92 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.052 0.454 . . . . 0.0 111.228 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.966 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -130.89 138.35 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.939 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -135.14 111.49 9.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.979 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.863 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -83.48 148.84 27.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.477 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.659 HG22 ' HB2' ' A' ' 124' ' ' HIS . 26.4 m -129.49 156.44 44.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.066 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 124' ' ' HIS . 63.7 t30 -37.4 148.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.087 0.47 . . . . 0.0 111.283 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 123' ' ' GLU . 3.4 pp -46.77 -31.85 3.27 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.229 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.531 ' N ' HD12 ' A' ' 122' ' ' LEU . 98.9 mt-10 -65.72 -33.63 76.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.659 ' HB2' HG22 ' A' ' 120' ' ' THR . 78.8 m80 -96.46 165.09 12.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.292 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -97.76 170.25 9.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.478 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.996 ' O ' HG23 ' A' ' 139' ' ' VAL . 20.2 tt -108.81 139.98 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.214 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.566 ' HD3' ' NZ ' ' A' ' 137' ' ' LYS . 98.4 mttt -119.8 138.33 53.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.754 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.621 ' SG ' HG13 ' A' ' 117' ' ' ILE . 82.4 m -125.47 145.31 50.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.751 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.481 ' C ' ' HD2' ' A' ' 114' ' ' TYR . 98.6 m-85 -117.81 134.58 54.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.165 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.544 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 83.7 m-85 -63.64 -41.94 98.2 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.992 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.596 ' HE3' ' HZ1' ' A' ' 134' ' ' LYS . 99.6 mttt -117.24 8.84 13.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.017 0.436 . . . . 0.0 110.345 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.509 ' HA2' ' HB3' ' A' ' 116' ' ' PHE . . . 91.79 -13.34 67.04 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 83.5 t80 -162.35 116.09 1.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.596 ' HZ1' ' HE3' ' A' ' 131' ' ' LYS . 39.6 ttmt 174.65 161.21 0.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.831 0.348 . . . . 0.0 110.613 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.506 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 11.8 t -68.23 -13.58 62.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.171 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.497 ' O ' ' HD1' ' A' ' 130' ' ' TYR . 99.7 mttt -96.83 118.39 33.16 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.422 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.566 ' NZ ' ' HD3' ' A' ' 127' ' ' LYS . 20.8 ptmt -151.25 158.4 43.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.541 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.569 ' CD ' ' NZ ' ' A' ' 105' ' ' LYS . 88.8 tt0 -119.86 129.86 54.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.459 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.3 p -135.83 141.47 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.69 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.685 HD12 ' CG2' ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.574 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 tpp . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.62 152.86 36.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -120.08 127.4 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.13 2.8 90.66 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 7' ' ' ARG . 75.5 mmtt 55.56 43.36 28.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.321 . . . . 0.0 110.492 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.624 ' OG ' ' N ' ' A' ' 10' ' ' SER . 95.2 p -58.17 83.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.439 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 5' ' ' LYS . 2.9 mpp_? 49.65 -82.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.605 ' N ' ' O ' ' A' ' 6' ' ' SER . 92.8 t80 -108.13 -70.13 0.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.393 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.589 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 66.9 t30 -156.26 109.52 2.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.932 0.396 . . . . 0.0 111.088 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.624 ' N ' ' OG ' ' A' ' 6' ' ' SER . 48.3 t -62.55 -41.52 98.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.242 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -72.96 -6.26 44.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.335 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.589 ' CG ' ' O ' ' A' ' 9' ' ' ASN . 7.9 ppt_? -49.36 149.21 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.266 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -152.02 161.15 43.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.779 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.3 mmt85 -132.38 149.63 52.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.1 m -126.16 148.73 49.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.579 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -129.23 148.38 51.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.549 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 23.5 m120 53.52 -127.62 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.768 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.585 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER 85.92 -7.73 0.79 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.678 -179.867 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.5 m -89.44 -1.44 58.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 16.1 m120 61.36 -136.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.617 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HE2' ' HG2' ' A' ' 25' ' ' GLU . 31.7 ttpt -173.99 -77.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.293 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' HB2' ' HB2' ' A' ' 25' ' ' GLU . 98.5 mt-30 -129.21 142.65 50.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.209 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -60.82 -45.91 92.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.702 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -68.62 -30.37 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.944 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 54.2 tp10 -61.63 -46.28 90.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 110.738 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 20' ' ' ASN . 17.1 m-30 -80.39 -28.42 37.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.636 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.52 98.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.72 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 20.9 pt20 -70.8 -30.48 66.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.965 0.412 . . . . 0.0 110.239 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.643 ' O ' HD13 ' A' ' 33' ' ' LEU . 78.7 mm-40 -63.43 -38.58 91.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.58 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 98.4 mtp -61.23 -39.12 89.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.672 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 98.4 m-20 -60.3 -40.91 92.2 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.494 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.548 ' HD3' ' O ' ' A' ' 28' ' ' GLN . 12.5 mpt_? -64.5 -41.65 96.32 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.615 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 29' ' ' GLU . 11.0 mp -64.35 -45.54 87.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.7 pt-20 -65.87 -29.21 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.591 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.51 -46.3 90.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.398 . . . . 0.0 110.053 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.743 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -62.88 -40.21 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.701 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.193 ' CG ' HD11 ' A' ' 45' ' ' LEU . 65.1 m-85 -64.33 -36.67 84.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.575 ' OE1' ' ND2' ' A' ' 39' ' ' ASN . 16.7 tm-20 -60.06 -39.89 87.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.575 ' ND2' ' OE1' ' A' ' 38' ' ' GLU . 34.2 m120 -96.94 6.64 48.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.454 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -104.16 94.55 5.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 98.8 m-20 -64.4 140.51 58.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.032 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 54' ' ' LYS . . . 81.1 9.21 86.45 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.667 ' CZ3' ' NZ ' ' A' ' 54' ' ' LYS . 76.0 m95 -117.65 133.91 55.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.667 0.27 . . . . 0.0 110.275 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 78.9 m-85 -140.0 148.69 42.23 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.356 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.193 HD11 ' CG ' ' A' ' 37' ' ' PHE . 2.7 mp -123.44 143.37 50.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.258 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.9 p -120.48 137.83 54.14 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.713 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.6 p -70.28 -35.61 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.078 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.53 -46.28 90.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.292 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.634 ' O ' ' C ' ' A' ' 50' ' ' ASP . 58.1 mtmt -117.8 38.56 3.6 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.901 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.0 m-20 0.8 69.51 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.504 0.503 . . . . 0.0 111.049 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.602 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.6 t -150.02 152.18 34.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.581 ' HB1' ' CE2' ' A' ' 37' ' ' PHE . . . -108.39 144.18 36.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.443 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.4 p90 -147.5 161.45 41.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.344 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.766 ' NZ ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -143.61 149.26 37.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -114.34 125.51 53.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.778 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.603 ' CE1' ' HG3' ' A' ' 54' ' ' LYS . 96.4 m-85 -104.71 -5.48 21.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.961 0.41 . . . . 0.0 110.153 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.08 -9.38 74.99 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.587 ' NZ ' ' H ' ' A' ' 112' ' ' ASP . 66.0 tttm -113.35 -41.82 3.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 0.0 110.537 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.73 ' CE2' HD12 ' A' ' 111' ' ' LEU . 54.8 p90 -150.59 160.52 43.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.643 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.69 ' OE1' HD23 ' A' ' 75' ' ' LEU . 88.7 tt0 -109.93 130.34 55.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 111.226 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.593 HG23 ' CD1' ' A' ' 59' ' ' TYR . 48.5 pt -127.64 138.89 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.242 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.547 ' O ' HD12 ' A' ' 63' ' ' LEU . 10.5 ptm85 -132.55 156.21 47.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.03 0.443 . . . . 0.0 110.883 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.071 HD11 HD12 ' A' ' 84' ' ' ILE . 7.4 mp -116.67 149.38 39.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.559 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.0 p -149.39 163.06 38.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.573 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -72.42 -162.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.517 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -58.72 -47.01 86.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.06 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 t -93.24 109.06 20.59 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.549 ' CB ' ' HE2' ' A' ' 85' ' ' LYS . . . -100.81 7.85 43.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.997 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -59.44 -45.45 91.54 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.446 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -85.63 -18.32 33.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.336 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 50' ' ' ASP . 49.4 mmtm -93.21 -5.33 50.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.64 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.536 ' HB2' ' O ' ' A' ' 68' ' ' ALA . 55.0 t80 -92.13 123.54 35.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -141.95 138.99 32.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -83.41 106.77 15.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.869 0.366 . . . . 0.0 110.494 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.717 ' HB2' HD11 ' A' ' 81' ' ' ILE . 9.7 mp -74.47 146.9 42.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.711 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -86.89 -1.6 57.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.721 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.67 -34.14 76.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.602 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.98 0.84 89.37 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.589 ' NH2' ' OD2' ' A' ' 112' ' ' ASP . 29.6 mmm180 -83.03 157.88 22.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.811 0.339 . . . . 0.0 110.327 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.969 HD23 ' O ' ' A' ' 114' ' ' TYR . 2.2 tm? -58.84 129.16 40.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.978 0.418 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.906 ' N ' HD13 ' A' ' 80' ' ' LEU . 87.2 mt -116.8 127.71 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.541 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.985 HG13 HG22 ' A' ' 117' ' ' ILE . 85.7 t -112.31 120.23 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.438 HD21 ' CB ' ' A' ' 68' ' ' ALA . 50.6 t30 -96.71 108.66 21.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.289 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.071 HD12 HD11 ' A' ' 63' ' ' LEU . 83.3 mt -99.54 122.97 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.999 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.549 ' HE2' ' CB ' ' A' ' 68' ' ' ALA . 99.6 mttt -104.39 120.33 40.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.395 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.587 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -159.47 153.4 23.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.507 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.0 m -69.79 147.92 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.25 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.565 ' HB2' HD21 ' A' ' 33' ' ' LEU . 18.9 ptpt -60.72 -28.14 68.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.532 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.56 -42.86 98.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.436 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -105.13 20.81 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.735 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.871 ' CE1' HD23 ' A' ' 63' ' ' LEU . 90.7 t80 -58.19 -48.35 80.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.765 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' O ' ' HB ' ' A' ' 95' ' ' ILE . 67.3 t -61.42 -45.38 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.191 0.519 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.31 -39.6 91.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.012 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.827 HG22 ' O ' ' A' ' 91' ' ' PHE . 4.9 tp -61.6 -28.4 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.818 0.342 . . . . 0.0 110.173 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.66 HD12 ' CH2' ' A' ' 43' ' ' TRP . 33.7 mm -60.66 -47.17 94.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.684 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 100' ' ' ASP . 97.0 mt-10 -65.7 -43.86 87.88 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.96 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.82 HD22 HD21 ' A' ' 122' ' ' LEU . 99.0 m-20 -70.54 -39.5 73.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.697 ' NZ ' HG11 ' A' ' 82' ' ' VAL . 5.9 tmtt? -82.43 -49.75 9.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 0.0 111.496 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.094 HD22 HD11 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -59.4 -40.01 85.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.39 -178.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.568 ' CG ' ' O ' ' A' ' 96' ' ' GLU . 99.2 m-20 -62.2 -38.64 89.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.802 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.998 ' HD2' HG21 ' A' ' 140' ' ' ILE . 75.1 mmtt -64.33 -39.67 94.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 1.094 HD11 HD22 ' A' ' 99' ' ' LEU . 42.1 pt -73.6 -34.68 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.554 HG12 ' CD1' ' A' ' 99' ' ' LEU . 28.8 mm -62.31 -44.66 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 110.212 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.494 ' O ' ' HE2' ' A' ' 108' ' ' LYS . 88.9 tt0 -63.12 -41.89 99.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.861 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.541 ' O ' HD23 ' A' ' 109' ' ' LEU . 73.9 mmtt -62.37 -40.18 95.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.266 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.604 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 76.0 mt -61.7 -46.31 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.353 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.85 -43.98 97.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.951 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.494 ' HE2' ' O ' ' A' ' 104' ' ' GLU . 1.2 mppt? -83.26 -30.49 27.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.106 0.479 . . . . 0.0 110.373 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.693 HD11 ' HE1' ' A' ' 114' ' ' TYR . 1.1 pt? -150.11 177.25 10.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.764 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.536 ' HB2' ' HG2' ' A' ' 113' ' ' LYS . 98.4 m-20 -102.33 132.03 48.56 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.159 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.73 HD12 ' CE2' ' A' ' 59' ' ' TYR . 89.1 mt -63.82 -35.42 80.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.311 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.589 ' OD2' ' NH2' ' A' ' 79' ' ' ARG . 98.7 m-20 -59.97 -18.37 45.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.61 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.536 ' HG2' ' HB2' ' A' ' 110' ' ' ASP . 73.2 mmtt -63.96 -39.2 93.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.123 0.487 . . . . 0.0 109.973 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.969 ' O ' HD23 ' A' ' 80' ' ' LEU . 56.9 m-85 -79.45 147.05 32.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.162 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.582 ' C ' ' CD2' ' A' ' 80' ' ' LEU . 41.5 mmt180 -104.04 -21.8 13.54 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.68 ' C ' HD12 ' A' ' 117' ' ' ILE . 87.8 t80 -145.99 125.31 13.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.108 0.48 . . . . 0.0 111.411 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.985 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -133.36 139.78 48.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.707 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.519 ' O ' ' HB ' ' A' ' 126' ' ' ILE . 66.7 t30 -133.45 113.03 12.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.888 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.032 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -82.26 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.171 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.543 ' H ' HG22 ' A' ' 126' ' ' ILE . 62.6 p -126.57 161.39 28.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.513 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.581 ' O ' ' O ' ' A' ' 124' ' ' HIS . 99.2 m-20 -47.82 173.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.42 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.82 HD21 HD22 ' A' ' 97' ' ' ASN . 89.5 mt -60.5 -39.15 86.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.418 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.0 -35.0 79.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.405 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.581 ' O ' ' O ' ' A' ' 121' ' ' ASN . 79.9 m80 -100.83 151.11 22.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.442 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.3 m-20 -99.51 168.87 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.585 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.921 HD13 ' O ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -108.67 168.36 3.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.24 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.515 ' NZ ' ' OH ' ' A' ' 129' ' ' TYR . 0.3 OUTLIER -144.0 154.53 43.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.135 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.653 ' SG ' ' CG1' ' A' ' 117' ' ' ILE . 83.6 m -121.55 147.59 45.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.714 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.56 ' CD1' ' HD2' ' A' ' 116' ' ' PHE . 97.3 m-85 -116.03 134.74 54.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.005 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.601 ' CD2' ' HD3' ' A' ' 131' ' ' LYS . 74.3 t80 -60.27 -48.18 82.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.578 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.601 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 0.1 OUTLIER -117.32 10.76 13.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.408 . . . . 0.0 110.42 179.37 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.542 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 91.16 -12.42 69.23 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.527 ' O ' ' HG2' ' A' ' 134' ' ' LYS . 87.2 t80 -161.75 116.44 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 133' ' ' PHE . 14.5 mmtt 171.44 164.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.887 0.375 . . . . 0.0 110.777 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.4 t -68.98 -21.06 64.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.531 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -91.05 118.46 30.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 26.3 pttm -150.99 159.18 44.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.421 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.507 ' HG3' ' OH ' ' A' ' 114' ' ' TYR . 79.7 mm-40 -113.13 145.34 41.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.384 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 11.4 p -136.74 140.91 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.674 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.998 HG21 ' HD2' ' A' ' 101' ' ' LYS . 84.8 mt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.072 -0.965 . . . . 0.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HG3' ' HE3' ' A' ' 5' ' ' LYS . 61.6 mtt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.01 92.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.523 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.19 4.6 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.21 2.58 90.62 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.521 ' HA ' ' OD1' ' A' ' 9' ' ' ASN . 98.5 mttt 55.22 41.95 30.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.536 ' O ' ' C ' ' A' ' 7' ' ' ARG . 68.1 m -66.36 146.05 55.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.474 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.536 ' C ' ' O ' ' A' ' 6' ' ' SER . 12.0 mpt_? 27.98 -106.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.394 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.514 ' O ' ' HB2' ' A' ' 9' ' ' ASN . 96.8 m-85 -110.43 7.77 22.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.793 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.521 ' OD1' ' HA ' ' A' ' 5' ' ' LYS . 99.0 m-20 67.34 -75.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.345 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.7 t -61.39 141.35 57.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.308 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 13' ' ' LYS . 93.4 t80 -59.12 131.09 49.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.616 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 8.1 tpm_? -87.9 128.08 35.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.613 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 19.6 ptpt -151.36 160.34 43.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -70.57 144.98 51.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.476 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.4 t -104.26 123.46 47.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.616 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -127.69 -7.78 5.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -90.96 106.93 18.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -103.42 123.1 46.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.601 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.5 m -71.42 143.92 49.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.412 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -150.13 54.41 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.633 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HE3' ' CG ' ' A' ' 26' ' ' TYR . 62.7 pttt -158.08 166.06 33.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.684 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -61.01 135.57 57.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.426 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -68.02 -30.93 70.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.168 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 61.1 ttp180 -60.78 -48.82 80.07 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.607 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 79.2 mm-40 -66.61 -40.42 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.044 0.45 . . . . 0.0 110.399 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.535 ' CG ' ' HE3' ' A' ' 21' ' ' LYS . 5.6 t80 -61.67 -47.5 85.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.579 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.553 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -62.25 -40.31 95.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.583 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 98.5 mm-40 -63.02 -39.44 94.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.602 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.732 ' O ' HD13 ' A' ' 33' ' ' LEU . 78.7 mm-40 -63.37 -39.43 94.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.15 -47.95 83.76 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.869 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.583 ' OD1' ' O ' ' A' ' 28' ' ' GLN . 6.9 p-10 -70.05 -34.64 73.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.491 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.496 HH21 ' CB ' ' A' ' 35' ' ' LYS . 8.9 tpm_? -61.3 -46.06 91.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.739 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 29' ' ' GLU . 9.0 mp -63.98 -44.26 93.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.736 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.3 pt-20 -64.01 -34.94 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.037 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 31' ' ' ASP . 98.1 mttt -64.31 -40.49 96.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.993 0.425 . . . . 0.0 110.349 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.925 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -62.68 -40.62 97.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.0 ' CD1' HD11 ' A' ' 45' ' ' LEU . 72.1 m-85 -64.85 -38.34 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.535 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.22 -41.3 96.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.369 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -92.98 10.07 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.449 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -102.7 95.31 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.526 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.08 140.74 58.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.715 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.563 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.97 2.46 90.57 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.605 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 93.7 m95 -118.91 139.58 51.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.926 0.393 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 81.6 m-85 -137.41 149.53 46.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.948 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.0 HD11 ' CD1' ' A' ' 37' ' ' PHE . 90.2 mt -112.3 141.52 45.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.433 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.3 t -114.98 128.61 56.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.395 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.6 m -65.1 -40.86 95.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.205 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.18 -46.18 89.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.941 0.4 . . . . 0.0 109.995 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.63 ' O ' ' N ' ' A' ' 51' ' ' SER . 38.4 ttpt -121.89 61.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.636 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.553 ' C ' ' O ' ' A' ' 49' ' ' LYS . 99.2 m-20 -24.4 85.8 0.0 OUTLIER 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.82 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.1 p -159.07 163.7 36.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.471 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.815 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -117.27 145.23 44.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.514 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.537 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 52.2 p90 -149.03 160.21 43.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.876 0.369 . . . . 0.0 110.719 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.605 ' HE3' ' CE2' ' A' ' 43' ' ' TRP . 41.5 ttmt -116.07 129.83 56.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.173 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -90.98 99.63 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.629 ' CD2' ' OH ' ' A' ' 59' ' ' TYR . 0.6 OUTLIER -84.64 -20.03 31.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.295 179.216 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.72 -11.18 72.84 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' O ' ' NE ' ' A' ' 79' ' ' ARG . 57.2 mtmt -115.24 -30.43 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.116 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.803 ' CZ ' HD22 ' A' ' 111' ' ' LEU . 55.3 p90 -156.3 161.67 40.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.11 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 88.9 tt0 -114.87 128.69 56.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 111.109 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.571 HG23 ' CD1' ' A' ' 59' ' ' TYR . 47.3 pt -127.42 137.76 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.158 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.712 HH12 HG21 ' A' ' 81' ' ' ILE . 10.8 ptp85 -139.81 158.28 44.35 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.164 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.553 HD11 HD13 ' A' ' 84' ' ' ILE . 10.2 mp -110.93 149.5 30.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.103 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.834 ' OG ' ' HB2' ' A' ' 68' ' ' ALA . 91.4 p -147.33 163.06 37.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.783 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.569 ' ND2' ' ND1' ' A' ' 66' ' ' HIS . 51.3 t30 -56.77 -163.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.557 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.569 ' ND1' ' ND2' ' A' ' 65' ' ' ASN . 53.8 p-80 -62.69 -19.82 64.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.265 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.9 p -123.11 93.51 3.98 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.834 ' HB2' ' OG ' ' A' ' 64' ' ' SER . . . -83.83 -20.55 32.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.689 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.485 ' O ' ' HD2' ' A' ' 72' ' ' TYR . 57.1 p30 -80.9 -7.82 59.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -61.03 -40.83 95.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.777 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -124.99 44.42 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.957 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.485 ' HD2' ' O ' ' A' ' 69' ' ' ASP . 36.9 p90 -65.73 143.29 57.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.491 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.525 ' ND1' ' HD3' ' A' ' 49' ' ' LYS . 66.5 m170 -130.73 154.7 47.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.56 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.769 ' C ' HD13 ' A' ' 75' ' ' LEU . 98.7 m-20 -63.02 147.37 50.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.379 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.949 ' H ' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -97.21 99.77 11.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.872 0.368 . . . . 0.0 110.756 -179.738 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -94.9 -8.12 38.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.451 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.531 ' ND2' ' OE1' ' A' ' 60' ' ' GLU . 99.3 m-20 -65.84 -32.18 73.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.054 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.442 ' O ' ' HD2' ' A' ' 79' ' ' ARG . . . 75.63 21.06 77.72 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 78' ' ' GLY . 30.4 mmm180 -126.25 156.54 40.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.464 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.039 HD12 ' O ' ' A' ' 111' ' ' LEU . 3.0 tt -56.97 128.37 36.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.628 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.02 ' N ' HD23 ' A' ' 80' ' ' LEU . 87.9 mt -119.18 124.83 73.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.28 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.03 HG13 HG22 ' A' ' 117' ' ' ILE . 97.2 t -118.18 124.5 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.381 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.517 ' OD1' ' HG2' ' A' ' 62' ' ' ARG . 98.2 m-20 -110.91 135.18 51.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.237 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.595 ' HA ' ' HB3' ' A' ' 119' ' ' ALA . 2.5 mp -119.82 126.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.803 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.551 ' O ' ' OD1' ' A' ' 121' ' ' ASN . 37.7 mtmm -99.69 128.18 45.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.418 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.533 ' HA ' ' OD1' ' A' ' 121' ' ' ASN . . . -159.28 154.55 25.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.693 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.5 t -63.71 141.93 58.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.283 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HB2' HD21 ' A' ' 33' ' ' LEU . 9.7 ptpp? -58.87 -29.41 66.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.539 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.607 HD23 ' OE1' ' A' ' 29' ' ' GLU . 87.1 mt -64.43 -39.37 93.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.0 0.428 . . . . 0.0 110.187 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -105.29 20.22 19.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.624 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CZ ' ' CZ ' ' A' ' 37' ' ' PHE . 86.7 t80 -58.24 -49.2 77.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.881 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 1.049 ' O ' HG22 ' A' ' 95' ' ' ILE . 59.0 t -62.79 -44.01 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.134 0.492 . . . . 0.0 110.496 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.13 -40.35 93.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.327 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 91' ' ' PHE . 3.9 tp -58.81 -33.37 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.018 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 1.049 HG22 ' O ' ' A' ' 92' ' ' VAL . 15.6 tt -62.71 -36.92 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.535 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -63.72 -47.84 79.49 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.564 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 50.8 t30 -71.77 -45.64 61.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.619 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.59 ' NZ ' ' CD1' ' A' ' 126' ' ' ILE . 58.1 tptt -64.55 -42.9 95.41 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.393 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 95' ' ' ILE . 3.5 mm? -57.57 -42.06 82.32 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.336 -0.545 . . . . 0.0 109.626 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.74 -39.37 93.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.256 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.751 ' HD2' HD13 ' A' ' 140' ' ' ILE . 75.9 mmtt -63.15 -39.0 93.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.032 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.562 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.28 -41.61 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.867 -179.122 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.796 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.0 mm -61.72 -46.53 96.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.173 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.51 -43.44 90.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.042 0.449 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.587 ' CE ' HD11 ' A' ' 140' ' ' ILE . 74.5 mmtt -64.25 -40.49 96.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.32 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.796 HG22 ' O ' ' A' ' 103' ' ' ILE . 20.2 tt -66.46 -32.16 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.71 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.59 -40.39 96.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.028 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -74.35 -39.5 62.74 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.176 0.513 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.159 HD11 ' CE1' ' A' ' 114' ' ' TYR . 1.2 pp -157.68 154.2 27.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.846 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.725 ' O ' HD12 ' A' ' 109' ' ' LEU . 99.3 m-20 -66.16 145.84 55.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.54 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 1.039 ' O ' HD12 ' A' ' 80' ' ' LEU . 7.4 mp -62.91 -39.71 95.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.739 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.56 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 61.8 t0 -51.34 -14.67 0.3 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.569 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.416 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 33.5 mmtp -65.42 -37.18 86.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.3 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 1.159 ' CE1' HD11 ' A' ' 109' ' ' LEU . 70.6 m-85 -96.93 129.47 44.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.852 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.552 ' HD3' ' O ' ' A' ' 131' ' ' LYS . 78.3 ttt-85 -64.73 -43.63 92.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.984 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 118' ' ' ASN . 93.8 t80 -150.31 134.29 16.9 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.161 0.505 . . . . 0.0 111.994 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 1.03 HG22 HG13 ' A' ' 82' ' ' VAL . 1.3 mp -126.89 138.31 55.22 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.333 178.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.587 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 66.4 t30 -131.18 112.03 12.46 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.699 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 84' ' ' ILE . . . -82.01 153.3 26.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.148 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.584 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 68.0 p -127.92 162.05 27.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.232 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.551 ' OD1' ' O ' ' A' ' 85' ' ' LYS . 87.4 m-20 -52.73 149.92 5.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.169 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 123' ' ' GLU . 2.0 pp -46.17 -30.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.34 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.491 ' N ' HD12 ' A' ' 122' ' ' LEU . 88.7 tt0 -66.45 -35.06 79.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 121' ' ' ASN . 99.1 m-70 -102.21 164.94 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.567 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.584 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.2 m-20 -97.74 165.99 11.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.59 ' CD1' ' NZ ' ' A' ' 98' ' ' LYS . 18.7 tt -108.34 141.35 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.543 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 127' ' ' LYS . 2.2 mmmm -119.0 152.06 37.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.6 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.998 ' SG ' HD11 ' A' ' 117' ' ' ILE . 53.6 t -134.85 128.9 33.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -112.16 136.28 51.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.318 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -60.05 -49.52 77.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.761 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.572 ' HE2' ' CZ ' ' A' ' 133' ' ' PHE . 17.1 ptmt -118.04 19.14 13.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.002 0.43 . . . . 0.0 110.432 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 93.35 -18.88 55.39 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.572 ' CZ ' ' HE2' ' A' ' 131' ' ' LYS . 52.0 p90 -163.26 128.9 3.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 133' ' ' PHE . 6.1 mmmt 170.57 165.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.566 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.3 p -68.69 -23.04 64.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.843 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -93.8 119.29 32.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.449 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -150.7 158.46 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.592 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.507 ' OE2' ' HD2' ' A' ' 105' ' ' LYS . 88.8 tt0 -112.91 129.44 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.191 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 9.7 p -133.2 140.85 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 110.764 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.751 HD13 ' HD2' ' A' ' 101' ' ' LYS . 82.9 mt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.621 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.5 tpp . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 3' ' ' TYR . . . 56.36 47.48 18.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.631 ' CD2' ' N ' ' A' ' 4' ' ' GLY . 89.6 t80 71.32 -99.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.46 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.631 ' N ' ' CD2' ' A' ' 3' ' ' TYR . . . 57.57 -131.59 52.13 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -140.16 50.86 1.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.759 0.314 . . . . 0.0 110.74 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.57 ' O ' ' C ' ' A' ' 7' ' ' ARG . 40.3 t -62.87 140.99 58.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.38 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.57 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.0 OUTLIER 26.82 -95.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.16 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 6' ' ' SER . 95.3 m-85 -110.27 -24.63 10.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.975 0.417 . . . . 0.0 110.207 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 61.0 t30 53.51 38.88 29.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.642 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.8 p -100.58 -19.02 16.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.755 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.509 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 94.0 t80 -147.22 130.75 16.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.681 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 11' ' ' TYR . 43.6 ttm180 173.03 -93.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.656 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -132.4 131.45 41.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.489 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.526 HH21 ' NH1' ' A' ' 18' ' ' ARG . 36.5 ptt-85 -62.5 144.46 55.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.731 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.6 p -101.59 4.44 40.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.782 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -69.89 142.74 52.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.847 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' HB3' HD21 ' A' ' 20' ' ' ASN . 98.3 m-20 -101.55 148.9 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.509 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.526 ' NH1' HH21 ' A' ' 14' ' ' ARG . 0.0 OUTLIER -149.87 161.89 41.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.699 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m 56.45 41.08 29.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.73 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.551 ' O ' ' O ' ' A' ' 21' ' ' LYS . 33.2 m120 -77.57 135.98 38.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.538 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' O ' ' O ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER 34.32 -159.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.624 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.559 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 98.3 mm-40 53.43 41.06 32.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.45 -39.22 92.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.54 -42.31 96.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.652 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -61.88 -39.95 93.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 22' ' ' GLN . 74.0 m-85 -65.28 -39.38 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.467 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.99 96.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -62.97 -40.94 99.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.385 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 88' ' ' LYS . 98.7 mt-10 -63.2 -39.28 94.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.495 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.49 ' SD ' ' C ' ' A' ' 30' ' ' MET . 19.4 tmm? -60.66 -44.55 96.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.548 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.25 -47.15 87.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 110.124 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -61.78 -44.1 97.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.693 HD21 ' CE1' ' A' ' 37' ' ' PHE . 7.8 tt -61.4 -44.53 96.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.468 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.95 -40.96 97.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.564 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.09 -43.74 95.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.702 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.517 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.84 -39.96 91.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.412 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.064 ' CD1' HD11 ' A' ' 45' ' ' LEU . 43.3 m-85 -67.57 -33.45 75.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.991 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.89 -40.77 89.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.318 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -97.78 7.56 46.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.639 HD12 ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -101.13 98.33 8.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.849 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.8 t0 -66.93 134.71 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.769 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 92.19 -1.06 72.91 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.667 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.663 ' CH2' HD11 ' A' ' 63' ' ' LEU . 95.0 m95 -118.36 138.0 52.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.999 0.428 . . . . 0.0 110.942 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -137.68 148.56 45.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.577 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.064 HD11 ' CD1' ' A' ' 37' ' ' PHE . 93.5 mt -118.17 137.95 52.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 70.8 m -119.15 129.7 55.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.098 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.528 ' HA ' ' OD1' ' A' ' 50' ' ' ASP . 92.7 p -67.04 -37.67 84.52 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.083 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 tpt -60.96 -45.27 95.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.622 ' O ' ' C ' ' A' ' 50' ' ' ASP . 24.5 mmmt -118.57 39.57 3.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.369 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.622 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.4 m-20 -8.74 77.97 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.617 0.573 . . . . 0.0 110.798 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.8 t -152.74 149.33 28.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.067 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.813 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -111.35 141.87 44.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.351 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' HB2' ' OE2' ' A' ' 60' ' ' GLU . 53.3 p90 -150.31 160.05 44.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.964 0.412 . . . . 0.0 111.179 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.632 ' HE3' ' CE2' ' A' ' 43' ' ' TRP . 41.8 ttmt -119.32 129.98 55.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.957 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -94.79 126.69 40.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.951 0.405 . . . . 0.0 111.269 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.776 ' CD1' ' CZ ' ' A' ' 59' ' ' TYR . 98.1 m-85 -108.92 -14.74 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.879 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.46 -10.87 73.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -115.46 -31.98 5.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.87 0.367 . . . . 0.0 110.357 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.776 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 51.3 p90 -152.57 162.64 40.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.53 ' OE2' ' HB2' ' A' ' 53' ' ' TYR . 16.6 tm-20 -118.41 130.46 55.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.91 0.386 . . . . 0.0 111.051 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.606 HG23 ' CD1' ' A' ' 59' ' ' TYR . 44.8 pt -126.74 137.11 58.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.228 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.508 ' HB3' ' HB3' ' A' ' 53' ' ' TYR . 41.2 ptt180 -140.4 157.68 45.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.434 . . . . 0.0 111.077 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.775 HD12 ' N ' ' A' ' 63' ' ' LEU . 3.1 mp -115.24 149.42 37.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.167 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.6 p -148.42 164.75 33.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.941 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.587 ' OD1' ' NZ ' ' A' ' 88' ' ' LYS . 61.1 t30 -56.82 177.62 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.323 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.493 ' HE2' ' HB3' ' A' ' 87' ' ' SER . 96.1 m-70 -62.0 -38.89 90.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.165 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.49 ' OG ' ' NH1' ' A' ' 18' ' ' ARG . 40.7 t -59.8 139.13 57.54 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.66 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.522 ' CB ' ' HE3' ' A' ' 71' ' ' LYS . . . -93.66 23.28 4.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.466 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -59.17 -43.48 92.13 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.006 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -94.53 1.91 55.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.091 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.522 ' HE3' ' CB ' ' A' ' 68' ' ' ALA . 40.9 ttmt -61.96 -40.53 95.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.78 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -65.7 144.84 56.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.642 ' CE1' ' C ' ' A' ' 75' ' ' LEU . 64.7 t-80 -91.31 109.82 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.835 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -99.17 -30.64 12.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.244 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.642 ' C ' ' CE1' ' A' ' 73' ' ' HIS . 7.2 tt -137.35 136.63 38.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.0 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' N ' ' HE1' ' A' ' 73' ' ' HIS . 25.6 pm0 -107.84 142.9 37.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.95 0.405 . . . . 0.0 110.734 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -100.41 10.79 40.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.406 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.61 4.56 89.01 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -126.27 157.18 38.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.753 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.2 OUTLIER -55.73 140.62 41.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.468 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.499 ' H ' HD13 ' A' ' 80' ' ' LEU . 1.5 mp -107.48 128.42 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.082 0.468 . . . . 0.0 110.991 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.863 HG22 ' CG1' ' A' ' 117' ' ' ILE . 48.0 t -124.46 124.82 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.551 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.545 ' HB2' ' OD1' ' A' ' 118' ' ' ASN . 85.3 m-20 -107.93 126.33 52.56 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.748 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.817 HG12 ' HB3' ' A' ' 119' ' ' ALA . 85.5 mt -117.62 127.69 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.468 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.555 ' HD2' ' O ' ' A' ' 65' ' ' ASN . 49.7 mmtm -95.67 128.92 42.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.646 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.719 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . . . -160.22 147.7 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.773 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.587 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.5 p -73.49 161.78 30.0 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.587 ' NZ ' ' OD1' ' A' ' 65' ' ' ASN . 13.3 mptt -62.44 -41.85 99.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.604 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.85 -40.78 92.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -104.25 13.32 32.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.734 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.607 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 88.1 t80 -59.14 -49.39 78.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.803 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.821 ' HA ' HD12 ' A' ' 95' ' ' ILE . 7.5 p -70.66 -33.49 53.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.588 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.04 -40.17 94.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.719 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 7.1 tt -65.0 -29.12 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.992 0.425 . . . . 0.0 109.955 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.821 HD12 ' HA ' ' A' ' 92' ' ' VAL . 88.9 mt -61.42 -42.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.22 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.16 -45.03 94.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.645 ' ND2' HD21 ' A' ' 122' ' ' LEU . 6.0 p30 -81.56 -41.04 22.18 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.542 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.558 ' CG ' HG12 ' A' ' 94' ' ' ILE . 47.8 mmtm -64.82 -40.12 94.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 0.0 110.979 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 95' ' ' ILE . 8.1 mp -62.81 -42.01 99.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.113 0.482 . . . . 0.0 109.824 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -63.65 -40.8 97.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 74.8 mmtt -63.77 -39.54 94.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.701 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.58 ' CG1' ' O ' ' A' ' 99' ' ' LEU . 44.1 pt -74.18 -38.03 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.937 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 99' ' ' LEU . 28.4 mm -62.49 -44.77 99.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.826 0.346 . . . . 0.0 110.481 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.66 -42.73 99.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.105 0.478 . . . . 0.0 109.916 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.799 ' HE3' HD12 ' A' ' 140' ' ' ILE . 98.1 mttt -62.65 -39.95 95.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.512 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.584 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 77.3 mt -61.63 -47.44 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.69 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.53 -41.41 98.48 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.377 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 108' ' ' LYS . 35.5 mmtp -74.99 -36.61 61.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.306 0.574 . . . . 0.0 109.975 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 2.6 pp -152.95 174.5 14.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.845 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.522 ' HB2' ' HG3' ' A' ' 113' ' ' LYS . 99.3 m-20 -95.87 126.69 41.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.054 0.454 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.54 ' CD1' HG13 ' A' ' 106' ' ' ILE . 90.5 mt -63.57 -38.26 90.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.506 ' OD1' ' HB3' ' A' ' 110' ' ' ASP . 58.9 p30 -60.76 -13.99 18.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.852 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.522 ' HG3' ' HB2' ' A' ' 110' ' ' ASP . 29.5 mtpp -64.61 -38.85 92.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.319 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.753 ' O ' HD11 ' A' ' 80' ' ' LEU . 30.3 m-85 -74.42 125.07 27.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.065 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.56 ' HD3' ' CA ' ' A' ' 131' ' ' LYS . 83.1 mtp180 -63.76 -39.33 94.01 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.117 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -147.93 122.15 9.57 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.994 0.426 . . . . 0.0 111.323 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.863 ' CG1' HG22 ' A' ' 82' ' ' VAL . 29.8 pt -130.77 150.49 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.549 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.545 ' OD1' ' HB2' ' A' ' 83' ' ' ASN . 50.0 t30 -148.73 117.07 6.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.044 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.817 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.64 155.63 23.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.656 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.58 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 70.8 p -127.95 161.42 29.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.989 0.423 . . . . 0.0 110.785 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.517 ' O ' ' O ' ' A' ' 120' ' ' THR . 82.4 m-20 -40.77 167.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.127 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.645 HD21 ' ND2' ' A' ' 97' ' ' ASN . 92.6 mt -60.94 -40.95 95.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.293 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.22 -34.41 77.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.123 0.487 . . . . 0.0 110.045 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.496 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 65.5 m170 -80.3 162.82 24.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.58 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.9 m-20 -98.18 155.56 17.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 1.062 ' O ' HG23 ' A' ' 139' ' ' VAL . 13.7 tt -108.82 135.86 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.028 0.442 . . . . 0.0 110.942 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.585 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 10.2 mptt -124.65 149.93 46.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.557 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.714 ' SG ' ' CG ' ' A' ' 114' ' ' TYR . 52.1 t -133.35 126.29 31.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.482 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -108.4 127.42 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.172 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.511 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 72.6 t80 -59.88 -48.78 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.524 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.56 ' CA ' ' HD3' ' A' ' 115' ' ' ARG . 99.5 mttt -110.93 9.16 22.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.312 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.482 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.15 -12.86 68.52 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -178.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -161.23 116.13 2.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 171.09 165.72 0.08 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.902 0.382 . . . . 0.0 110.769 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 96.0 m -66.76 -40.98 88.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.165 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -71.47 119.0 14.99 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.982 0.42 . . . . 0.0 110.701 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -151.4 158.42 43.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.464 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 128' ' ' CYS . 52.8 tp10 -114.4 126.17 54.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.009 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 1.062 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.1 p -133.97 142.97 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.815 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.799 HD12 ' HE3' ' A' ' 105' ' ' LYS . 93.3 mt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.543 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.7 tpt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.67 152.49 35.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.433 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.468 ' O ' ' HB2' ' A' ' 6' ' ' SER . 94.8 m-85 -128.44 146.33 50.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.582 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.25 -40.1 98.12 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.504 ' HA ' ' OD1' ' A' ' 9' ' ' ASN . 22.3 ptmt -61.87 -22.63 65.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.61 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 3' ' ' TYR . 74.5 m -62.45 -39.97 95.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.7 mtp85 -84.37 59.61 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 52.55 32.89 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.504 ' OD1' ' HA ' ' A' ' 5' ' ' LYS . 82.8 m-20 53.86 39.68 30.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.515 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.5 m -62.24 -41.1 98.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.299 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -129.38 142.37 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.311 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -143.76 9.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.63 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -117.07 127.77 54.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 -130.16 147.86 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.182 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.1 t -63.45 135.26 56.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.675 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.579 ' CZ ' ' HG2' ' A' ' 18' ' ' ARG . 94.0 t80 -151.21 120.39 6.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.325 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -150.73 106.23 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.235 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.579 ' HG2' ' CZ ' ' A' ' 16' ' ' PHE . 19.3 ptp180 -157.8 161.58 38.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.284 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.577 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 98.3 p -62.82 -26.57 68.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.922 0.391 . . . . 0.0 110.203 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 19' ' ' SER . 0.6 OUTLIER 160.8 -100.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.737 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.576 ' O ' ' O ' ' A' ' 22' ' ' GLN . 64.4 tttm -145.7 132.68 20.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.751 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 21' ' ' LYS . 30.5 mm100 53.5 127.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.77 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -61.94 -22.62 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.507 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.495 ' HG2' HE21 ' A' ' 28' ' ' GLN . 79.7 ttt180 -60.35 -44.74 95.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.417 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.33 -41.02 98.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.476 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.705 ' CE2' ' SD ' ' A' ' 30' ' ' MET . 91.0 t80 -59.48 -47.73 84.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.813 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.81 92.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.829 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.495 HE21 ' HG2' ' A' ' 24' ' ' ARG . 77.8 mt-30 -63.53 -39.63 94.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.432 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.672 ' CD ' HD23 ' A' ' 89' ' ' LEU . 54.4 tp10 -61.51 -42.14 98.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.395 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.705 ' SD ' ' CE2' ' A' ' 26' ' ' TYR . 98.4 mtp -62.37 -40.38 96.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.03 -47.88 84.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.06 0.457 . . . . 0.0 110.075 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -61.97 -44.2 97.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.753 HD21 ' CE1' ' A' ' 37' ' ' PHE . 8.8 tt -61.66 -44.47 96.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.617 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.19 -39.04 91.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.22 -44.57 95.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.637 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.932 ' HB3' ' HZ ' ' A' ' 91' ' ' PHE . . . -61.46 -41.08 96.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.709 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.98 ' CG ' HD11 ' A' ' 45' ' ' LEU . 46.1 m-85 -66.2 -35.97 81.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.738 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.92 -41.99 92.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.21 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -93.89 10.01 35.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.355 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.861 HD22 ' CD1' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -102.36 86.25 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.646 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.24 140.24 58.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.361 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.564 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 90.25 -8.95 78.93 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.861 ' CD1' HD22 ' A' ' 40' ' ' LEU . 93.6 m95 -117.53 136.49 53.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.892 0.377 . . . . 0.0 110.46 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 71.3 m-85 -137.89 149.04 45.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.742 -179.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.98 HD11 ' CG ' ' A' ' 37' ' ' PHE . 2.7 mp -120.38 144.64 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.739 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -115.46 129.9 56.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.447 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.5 p -65.86 -37.78 87.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.801 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.67 -40.01 95.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.667 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.623 ' O ' ' C ' ' A' ' 50' ' ' ASP . 38.1 mtmm -116.82 38.93 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.597 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.623 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.6 p30 -5.87 75.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.658 0.599 . . . . 0.0 111.145 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.3 p -155.37 164.55 38.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.459 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.412 ' CB ' ' CE2' ' A' ' 37' ' ' PHE . . . -117.22 146.55 43.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.156 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.685 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 53.2 p90 -149.61 160.29 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.121 0.486 . . . . 0.0 111.216 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.684 ' HB3' HD11 ' A' ' 61' ' ' ILE . 65.1 tttp -133.67 132.5 40.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.246 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 57' ' ' GLY . 67.8 t0 -114.34 108.23 16.64 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.612 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.654 ' HE1' HD13 ' A' ' 61' ' ' ILE . 76.1 m-85 -80.09 -11.96 59.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.049 0.452 . . . . 0.0 110.182 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 93.34 -10.92 72.6 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -109.81 -29.24 8.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.127 0.489 . . . . 0.0 109.993 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.737 ' CE2' HD12 ' A' ' 111' ' ' LEU . 51.3 p90 -155.47 161.28 40.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.329 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.586 ' O ' HD12 ' A' ' 81' ' ' ILE . 89.0 tt0 -105.7 129.83 53.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.215 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.684 HD11 ' HB3' ' A' ' 54' ' ' LYS . 45.7 pt -127.32 138.75 53.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.788 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.795 HH12 ' HB1' ' A' ' 68' ' ' ALA . 52.5 ptt85 -136.24 156.02 49.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.074 0.464 . . . . 0.0 111.313 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.795 HD11 HD11 ' A' ' 95' ' ' ILE . 88.4 mt -113.45 140.48 48.06 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.677 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 48.5 t -148.2 151.34 35.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.337 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.549 ' O ' ' O ' ' A' ' 64' ' ' SER . 53.1 t30 -54.9 -144.77 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.556 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.446 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 95.6 m-70 -60.72 -39.77 89.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.414 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.8 m -115.52 131.01 57.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.204 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.795 ' HB1' HH12 ' A' ' 62' ' ' ARG . . . -111.33 -46.2 3.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.807 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.593 ' OD1' ' N ' ' A' ' 70' ' ' ASN . 49.4 p-10 -66.14 -39.44 89.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.792 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.593 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 65.2 t30 -62.58 -44.26 96.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.51 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -61.81 -45.69 92.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.621 ' CZ ' ' HD3' ' A' ' 49' ' ' LYS . 2.7 t80 -146.58 130.49 17.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.735 -179.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -62.47 133.29 54.78 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.575 ' C ' HD13 ' A' ' 75' ' ' LEU . 98.8 m-20 -61.73 140.33 58.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.712 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.811 HD22 ' N ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -114.11 143.16 45.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.335 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 51.3 mp0 -103.87 116.59 32.55 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.306 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.8 10.07 41.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.692 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.33 12.25 84.75 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 56.2 mmm-85 -129.34 158.78 38.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.748 0.308 . . . . 0.0 110.279 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.904 HD21 ' O ' ' A' ' 114' ' ' TYR . 0.1 OUTLIER -55.83 138.0 49.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.273 -179.779 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.66 ' H ' HD13 ' A' ' 80' ' ' LEU . 9.8 tp -129.34 135.62 61.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.966 ' CG2' HD11 ' A' ' 117' ' ' ILE . 57.2 t -123.0 124.57 70.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.759 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.628 ' ND2' ' NH2' ' A' ' 62' ' ' ARG . 29.2 t-20 -98.07 110.34 22.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.425 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.644 ' CD1' ' HB3' ' A' ' 119' ' ' ALA . 47.2 mm -109.96 122.9 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.803 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -87.98 136.8 32.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.423 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.704 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -150.07 157.22 42.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.524 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.596 ' O ' ' N ' ' A' ' 91' ' ' PHE . 67.1 m -97.88 140.68 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' O ' ' HD2' ' A' ' 91' ' ' PHE . 58.4 mtmt -62.55 -39.3 93.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.672 HD23 ' CD ' ' A' ' 29' ' ' GLU . 89.0 mt -62.9 -39.75 95.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.558 ' ND2' ' HB3' ' A' ' 93' ' ' ASP . 57.0 t30 -127.07 37.8 4.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.806 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.932 ' HZ ' ' HB3' ' A' ' 36' ' ' ALA . 19.3 p90 -66.59 -31.9 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.263 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' ' 93' ' ' ASP . 7.8 p -71.44 -43.71 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.558 ' HB3' ' ND2' ' A' ' 90' ' ' ASN . 67.3 t0 -62.65 -42.04 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.754 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.842 HG22 ' O ' ' A' ' 91' ' ' PHE . 14.2 tt -59.51 -29.3 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.528 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 63' ' ' LEU . 30.7 mm -61.86 -44.29 98.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.0 111.018 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.49 -40.79 97.83 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 31.8 m120 -84.99 -49.89 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.86 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.753 ' NZ ' ' HB1' ' A' ' 119' ' ' ALA . 30.3 mmmt -64.73 -41.0 96.27 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.477 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.587 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 8.5 tt -61.69 -40.16 94.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.066 0.46 . . . . 0.0 109.954 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -60.93 -38.49 86.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.349 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 50.0 mmtm -62.66 -40.02 95.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.071 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.78 ' N ' HD13 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -77.24 -39.63 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -178.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.879 ' O ' HG22 ' A' ' 106' ' ' ILE . 33.3 mm -61.59 -46.08 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.501 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -65.5 -42.48 92.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.051 0.453 . . . . 0.0 110.466 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 101' ' ' LYS . 62.5 mtpt -63.47 -40.91 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.251 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.879 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.0 tt -66.3 -28.45 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.77 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.92 -39.71 92.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.609 ' HB2' HD13 ' A' ' 109' ' ' LEU . 58.7 mtmt -73.45 -37.37 65.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.004 0.43 . . . . 0.0 110.056 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.887 HD13 ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -152.1 168.01 26.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.954 -179.811 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -81.55 143.41 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.737 HD12 ' CE2' ' A' ' 59' ' ' TYR . 94.8 mt -67.35 -29.79 69.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.457 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.507 ' HA ' ' HG ' ' A' ' 80' ' ' LEU . 98.5 m-20 -61.95 -19.11 62.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.031 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HD2' ' HB2' ' A' ' 109' ' ' LEU . 68.4 mttm -64.47 -38.52 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 110.365 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.904 ' O ' HD21 ' A' ' 80' ' ' LEU . 26.7 m-85 -80.81 118.71 22.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.98 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.549 ' CG ' ' HA ' ' A' ' 131' ' ' LYS . 27.9 mmm180 -63.36 -39.81 95.55 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -150.33 120.87 7.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.876 0.37 . . . . 0.0 111.073 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.966 HD11 ' CG2' ' A' ' 82' ' ' VAL . 31.7 pt -128.66 150.37 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.71 178.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.528 ' OD1' ' HB3' ' A' ' 83' ' ' ASN . 48.4 t30 -148.42 112.35 5.14 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.648 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.753 ' HB1' ' NZ ' ' A' ' 98' ' ' LYS . . . -90.04 156.28 18.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.011 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.578 ' O ' ' O ' ' A' ' 121' ' ' ASN . 69.1 p -124.59 161.51 26.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.567 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.578 ' O ' ' O ' ' A' ' 120' ' ' THR . 83.6 m-20 -39.34 170.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.779 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.58 -39.95 89.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.571 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.58 -34.42 77.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.057 0.456 . . . . 0.0 109.79 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.559 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 80.1 m80 -81.3 164.57 22.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.46 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.497 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.8 m-20 -97.58 160.35 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.352 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 139' ' ' VAL . 17.9 tt -108.95 141.92 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.021 0.438 . . . . 0.0 110.81 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.723 ' NZ ' ' CZ ' ' A' ' 129' ' ' TYR . 11.2 ptmm? -135.55 150.33 49.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.657 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.706 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 51.4 t -135.24 129.01 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.98 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.723 ' CZ ' ' NZ ' ' A' ' 127' ' ' LYS . 22.1 m-30 -110.61 129.92 55.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.609 ' CD2' ' HG3' ' A' ' 131' ' ' LYS . 71.1 t80 -60.75 -49.15 78.66 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.484 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.609 ' HG3' ' CD2' ' A' ' 130' ' ' TYR . 99.5 mttt -116.84 3.82 12.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.92 0.391 . . . . 0.0 110.38 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.459 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.5 -14.94 63.56 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.561 ' O ' ' HB3' ' A' ' 134' ' ' LYS . 87.0 t80 -162.53 115.09 1.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.616 ' N ' ' CE ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER 171.83 166.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.195 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 82.8 p -68.7 -18.06 64.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.379 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.498 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 25.4 ttmm -94.1 117.26 29.85 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.14 0.495 . . . . 0.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -150.81 158.32 44.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.373 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -125.52 129.38 49.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.359 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 126' ' ' ILE . 13.2 p -137.89 142.73 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.693 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.556 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.9 92.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.401 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 96.5 m-85 -64.17 -38.99 93.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.587 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.98 -40.4 98.4 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.67 -44.77 96.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.523 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -62.43 -39.62 93.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 3' ' ' TYR . 41.7 mmt180 -61.05 -41.55 96.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.101 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -119.56 106.86 12.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.448 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -95.85 132.73 40.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.747 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.6 m -62.27 -40.23 95.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.623 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.603 ' CE1' ' HB2' ' A' ' 14' ' ' ARG . 94.0 t80 -62.13 130.49 45.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.758 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.602 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 40.0 ptt180 -179.06 -52.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.726 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.602 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 64.2 mttp -100.37 3.44 43.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.677 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.603 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 16.3 mmp_? -61.89 -39.29 91.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.565 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.546 ' OG ' ' OH ' ' A' ' 11' ' ' TYR . 69.6 m -64.31 148.85 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.457 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.26 137.39 41.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.623 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.458 HD21 HD22 ' A' ' 65' ' ' ASN . 56.7 t30 -101.59 17.51 22.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -152.93 161.08 42.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.735 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.527 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 6.8 t 47.37 46.55 17.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.631 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.581 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . 65.3 t30 -61.04 -42.01 97.67 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.651 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -115.8 -65.1 1.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.48 ' O ' ' HD1' ' A' ' 26' ' ' TYR . 98.3 mt-30 -135.83 143.36 45.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.912 0.387 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.435 ' CD ' ' OG ' ' A' ' 19' ' ' SER . 55.6 mmm-85 -64.06 -38.91 92.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.583 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.96 -38.64 89.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.064 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.03 -44.15 94.81 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.314 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.581 ' OH ' ' CB ' ' A' ' 20' ' ' ASN . 76.0 m-85 -67.95 -36.33 79.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.356 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.96 91.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.297 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -63.27 -39.73 95.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.263 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.777 ' OE2' HD11 ' A' ' 33' ' ' LEU . 16.7 tm-20 -61.85 -40.42 95.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.189 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 60.7 ttm -60.49 -44.54 95.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.457 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.15 -39.77 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.298 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.86 -38.83 92.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.362 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.777 HD11 ' OE2' ' A' ' 29' ' ' GLU . 87.5 mt -61.86 -39.4 91.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.24 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.3 -39.96 94.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.298 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.41 -40.11 95.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.383 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.869 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.36 -39.89 92.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.3 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.624 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 71.1 t80 -58.58 -48.38 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.286 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.97 -38.23 87.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.428 ' C ' HD22 ' A' ' 40' ' ' LEU . 34.3 m120 -94.53 5.84 50.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 36' ' ' ALA . 3.3 mm? -114.45 103.39 11.0 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.889 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -68.03 128.02 34.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.832 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.547 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 80.22 16.69 75.84 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.061 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.624 ' O ' ' CE1' ' A' ' 37' ' ' PHE . 93.7 m95 -118.43 138.28 52.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.993 0.396 . . . . 0.0 110.799 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.591 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 77.5 m-85 -136.86 144.33 43.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.501 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.745 HD23 ' HA ' ' A' ' 52' ' ' ALA . 92.0 mt -121.2 135.7 55.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.821 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.5 p -120.46 137.23 54.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.393 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.4 p -69.43 -37.08 77.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.99 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.471 ' HE3' ' HG3' ' A' ' 49' ' ' LYS . 67.2 ttp -60.89 -45.64 93.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.634 ' O ' ' C ' ' A' ' 50' ' ' ASP . 69.0 mttm -115.87 38.29 3.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.634 ' C ' ' O ' ' A' ' 49' ' ' LYS . 67.1 t0 -4.48 75.0 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.611 0.569 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.596 ' N ' ' O ' ' A' ' 49' ' ' LYS . 95.0 p -155.25 167.15 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.872 ' HB3' HD13 ' A' ' 63' ' ' LEU . . . -108.49 135.54 49.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.633 ' CD2' ' OE2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -110.16 136.92 48.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.481 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.973 ' HD2' HD11 ' A' ' 61' ' ' ILE . 10.6 ttmt -132.93 120.07 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.642 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.562 ' OD1' ' OE1' ' A' ' 60' ' ' GLU . 98.0 m-20 -104.5 122.66 46.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.758 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CE1' ' HE2' ' A' ' 54' ' ' LYS . 1.4 m-30 -113.14 -13.78 12.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.323 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.18 -10.76 73.1 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.176 -1.169 . . . . 0.0 110.176 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 39.8 ttmt -113.04 -41.55 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.097 0.475 . . . . 0.0 110.045 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.473 ' HA ' ' HD2' ' A' ' 79' ' ' ARG . 53.5 p90 -153.41 160.82 42.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.468 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.633 ' OE2' ' CD2' ' A' ' 53' ' ' TYR . 52.2 tp10 -115.33 131.82 56.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.921 0.391 . . . . 0.0 111.001 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.981 HG22 ' HB ' ' A' ' 82' ' ' VAL . 48.8 pt -127.31 136.94 59.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.137 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.628 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 20.4 ptp180 -140.28 159.16 42.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.145 HD22 ' CE1' ' A' ' 91' ' ' PHE . 2.5 mp -111.96 147.4 35.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.931 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.544 ' O ' ' O ' ' A' ' 65' ' ' ASN . 43.0 t -146.76 147.86 31.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.544 ' O ' ' O ' ' A' ' 64' ' ' SER . 50.8 t30 -55.9 -149.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.893 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.453 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 86.6 t60 -59.6 -47.19 86.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 t -76.36 131.55 39.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.486 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.574 ' HB2' ' HD3' ' A' ' 85' ' ' LYS . . . -114.3 23.17 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.437 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.49 ' O ' ' HD2' ' A' ' 72' ' ' TYR . 98.3 m-20 -65.95 -23.01 66.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.762 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.532 ' OD1' ' HG3' ' A' ' 71' ' ' LYS . 54.9 p30 -78.6 0.14 27.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.306 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.589 ' NZ ' ' O ' ' A' ' 84' ' ' ILE . 99.2 mttt -98.86 7.56 45.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.26 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.49 ' HD2' ' O ' ' A' ' 69' ' ' ASP . 27.5 p90 -65.34 141.53 58.54 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.201 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.503 ' NE2' HG21 ' A' ' 81' ' ' ILE . 96.7 m-70 -128.1 126.29 40.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.714 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -113.35 6.56 17.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.393 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.8 tp -139.39 126.26 20.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.511 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -82.76 130.93 35.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.268 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.555 ' OD1' ' O ' ' A' ' 77' ' ' ASN . 55.4 t-20 -100.39 4.42 43.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.707 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.76 13.83 82.69 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.557 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 45.7 ptt85 -134.76 161.02 36.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.816 ' N ' HD22 ' A' ' 80' ' ' LEU . 2.5 mm? -77.13 146.64 37.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.783 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.503 HG21 ' NE2' ' A' ' 73' ' ' HIS . 85.9 mt -119.47 129.69 74.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.847 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.057 HG22 ' HB ' ' A' ' 117' ' ' ILE . 68.2 t -109.96 123.57 65.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.26 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.57 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 98.6 m-20 -106.04 120.02 40.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.748 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.758 ' CG1' ' HB3' ' A' ' 119' ' ' ALA . 3.8 mp -119.7 125.11 74.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.428 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.574 ' HD3' ' HB2' ' A' ' 68' ' ' ALA . 56.9 mtmt -101.69 130.66 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.591 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -159.56 152.52 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.642 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.552 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 40.4 t -65.45 139.7 58.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.266 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.533 ' HD3' ' OE1' ' A' ' 29' ' ' GLU . 19.3 ptpt -61.42 -28.32 69.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.599 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.712 HD23 ' CG ' ' A' ' 29' ' ' GLU . 88.3 mt -64.09 -39.57 94.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.552 ' OD1' ' O ' ' A' ' 87' ' ' SER . 55.3 p30 -103.33 23.28 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.51 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 1.145 ' CE1' HD22 ' A' ' 63' ' ' LEU . 80.5 t80 -58.78 -49.12 78.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.06 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 1.035 ' O ' HG22 ' A' ' 95' ' ' ILE . 68.3 t -62.06 -47.1 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.12 0.486 . . . . 0.0 110.603 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.05 -39.68 93.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.54 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 91' ' ' PHE . 4.3 tp -64.38 -29.84 48.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.014 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 1.035 HG22 ' O ' ' A' ' 92' ' ' VAL . 14.4 tt -62.81 -37.29 78.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.103 -178.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.574 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 53.6 mp0 -65.16 -44.53 88.25 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.18 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.573 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 58.8 t-20 -74.91 -44.62 47.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.331 . . . . 0.0 111.476 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.81 ' HZ1' HD11 ' A' ' 63' ' ' LEU . 39.6 ttpt -64.03 -43.54 95.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.034 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 95' ' ' ILE . 4.9 mp -56.7 -39.97 74.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.087 0.47 . . . . 0.0 109.905 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.42 -38.47 89.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.61 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.851 ' C ' ' HZ3' ' A' ' 105' ' ' LYS . 32.1 mmmt -61.8 -44.16 97.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.248 -178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 98' ' ' LYS . 2.0 mm -75.18 -41.21 44.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.707 -178.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.718 ' O ' HG22 ' A' ' 106' ' ' ILE . 32.8 mm -61.89 -45.02 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.636 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.58 -44.63 90.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.721 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.851 ' HZ3' ' C ' ' A' ' 101' ' ' LYS . 37.1 mtmm -63.77 -41.2 98.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.09 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.718 HG22 ' O ' ' A' ' 103' ' ' ILE . 17.5 tt -70.42 -32.68 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.78 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.08 -40.43 95.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.22 -36.64 17.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.472 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.55 ' O ' ' O ' ' A' ' 105' ' ' LYS . 1.0 OUTLIER -157.21 144.87 18.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.782 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.48 148.9 49.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.557 HD21 HG23 ' A' ' 102' ' ' ILE . 10.9 mp -71.24 -11.82 61.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.109 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.61 ' HA ' HD23 ' A' ' 80' ' ' LEU . 65.9 t0 -59.56 -34.48 72.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.756 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.544 ' N ' ' HD2' ' A' ' 113' ' ' LYS . 14.1 mptt -64.93 -22.29 66.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.701 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.509 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 53.0 m-85 -97.17 111.73 23.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.491 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.565 ' HB3' ' N ' ' A' ' 132' ' ' GLY . 0.0 OUTLIER -63.16 -43.5 98.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.277 179.77 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.51 ' CE2' ' HB2' ' A' ' 118' ' ' ASN . 93.1 t80 -129.08 126.69 39.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 1.057 ' HB ' HG22 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -127.53 133.08 68.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.397 179.76 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.57 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 65.6 t30 -146.45 112.13 5.62 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.94 -0.704 . . . . 0.0 111.341 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.758 ' HB3' ' CG1' ' A' ' 84' ' ' ILE . . . -82.43 152.95 25.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.342 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 40.0 p -122.97 161.46 24.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.253 -179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.566 ' O ' ' O ' ' A' ' 120' ' ' THR . 22.1 m120 -40.54 171.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.13 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.53 -40.29 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.141 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.02 -34.62 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.135 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.494 ' C ' ' OG1' ' A' ' 120' ' ' THR . 79.7 m80 -87.98 158.53 18.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.577 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.2 m-20 -99.06 168.82 9.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.517 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.787 ' O ' HG23 ' A' ' 139' ' ' VAL . 17.7 tt -108.04 133.29 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.045 0.45 . . . . 0.0 110.409 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.461 ' HG2' ' HB ' ' A' ' 139' ' ' VAL . 46.0 mttm -128.41 145.36 51.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.695 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 31.5 p -136.99 164.26 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.485 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.8 m-85 -117.73 140.26 49.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.241 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -60.06 -49.26 78.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.728 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -117.63 11.64 13.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.483 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.565 ' N ' ' HB3' ' A' ' 115' ' ' ARG . . . 93.96 -15.28 63.48 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.526 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.5 t80 -161.78 116.17 1.93 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 65.0 tttp 174.21 158.88 0.16 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.328 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.468 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 13.1 t -68.23 -7.49 30.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.606 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.479 ' H ' ' HG2' ' A' ' 134' ' ' LYS . 60.3 tptt -101.75 120.68 40.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.967 0.413 . . . . 0.0 110.778 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -150.69 158.78 44.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.343 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -123.77 143.34 50.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.628 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.5 p -141.07 141.26 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.652 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.771 HG22 ' NZ ' ' A' ' 101' ' ' LYS . 90.2 mt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.608 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.54 ' O ' ' HG3' ' A' ' 5' ' ' LYS . 63.4 tpp . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.0 92.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.525 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 93.9 t80 -62.42 131.85 50.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.508 ' C ' ' HD3' ' A' ' 5' ' ' LYS . . . 90.19 -7.73 81.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -137.66 4.75 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.467 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 48.2 t -61.09 -44.69 96.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.546 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -62.29 -41.21 98.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.524 179.824 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.595 ' O ' ' N ' ' A' ' 10' ' ' SER . 89.9 m-85 -66.77 -36.78 83.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.173 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.576 ' OD1' ' O ' ' A' ' 8' ' ' TYR . 42.5 p-10 23.51 44.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.664 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.603 ' OG ' ' CD1' ' A' ' 11' ' ' TYR . 40.6 t -66.01 139.44 58.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.603 ' CD1' ' OG ' ' A' ' 10' ' ' SER . 94.6 m-85 55.87 31.71 18.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.786 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.578 ' NH1' ' O ' ' A' ' 14' ' ' ARG . 53.0 tpt85 -75.72 127.55 33.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' O ' ' O ' ' A' ' 14' ' ' ARG . 99.4 mttt -108.74 108.52 19.38 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.243 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.625 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 99.7 mtt180 34.52 -164.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.196 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.505 ' O ' ' NH2' ' A' ' 12' ' ' ARG . 75.1 m -63.31 -39.62 95.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.443 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.501 ' HD1' ' O ' ' A' ' 17' ' ' ASN . 55.4 p90 -151.04 160.53 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.313 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.505 ' ND2' ' HB2' ' A' ' 20' ' ' ASN . 44.9 p30 -81.4 168.66 18.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.814 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.534 ' CZ ' ' OD2' ' A' ' 50' ' ' ASP . 77.3 mtp85 -64.39 -40.92 96.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 94.9 p -160.25 163.94 33.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.709 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 19' ' ' SER . 55.7 t30 175.77 -7.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -60.38 -46.13 91.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 110.521 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.534 ' OE1' ' CD ' ' A' ' 25' ' ' GLU . 64.4 tt0 -150.73 127.65 11.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -61.79 -44.46 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.636 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -61.07 -43.81 98.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.991 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.534 ' CD ' ' OE1' ' A' ' 22' ' ' GLN . 98.3 mt-10 -62.19 -40.16 95.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.8 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.36 -49.23 78.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.496 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.81 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.648 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -62.38 -41.81 98.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.842 ' OE2' HD21 ' A' ' 89' ' ' LEU . 98.2 mt-10 -63.12 -40.32 97.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.3 mmm -63.4 -41.11 98.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.57 -41.1 98.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.566 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.448 ' NH2' ' HB ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -62.27 -43.47 98.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.36 179.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.23 -42.75 99.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.526 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.89 -39.5 92.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.764 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -60.1 -46.63 88.97 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.288 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.931 ' O ' HD13 ' A' ' 40' ' ' LEU . . . -62.69 -40.55 97.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.294 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.455 ' HE1' ' HA ' ' A' ' 44' ' ' TYR . 89.3 t80 -58.62 -46.86 86.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.307 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.51 -39.28 90.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.101 0.477 . . . . 0.0 110.116 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.816 ' OD1' HD13 ' A' ' 40' ' ' LEU . 31.2 p30 -96.36 13.4 27.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.642 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.931 HD13 ' O ' ' A' ' 36' ' ' ALA . 1.7 mp -109.87 84.35 1.91 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.533 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.459 ' O ' ' HD1' ' A' ' 43' ' ' TRP . 99.1 m-20 -63.89 140.79 58.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.615 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 75.41 19.42 79.45 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.641 ' CZ3' ' NZ ' ' A' ' 54' ' ' LYS . 76.1 m95 -118.31 132.2 56.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.809 0.338 . . . . 0.0 110.685 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.624 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 72.8 m-85 -138.11 128.49 26.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.484 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.629 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -138.52 155.13 48.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.951 0.405 . . . . 0.0 111.233 179.639 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -120.3 131.69 55.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.302 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.8 t -61.29 -43.0 99.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.77 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.2 tpt -60.6 -44.33 96.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.957 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.8 mtmt -107.42 38.52 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.698 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.605 ' C ' ' O ' ' A' ' 49' ' ' LYS . 97.4 m-20 -4.54 73.12 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.639 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.608 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.4 t -151.26 141.98 22.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.148 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 62' ' ' ARG . . . -121.57 145.81 47.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.468 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.624 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.2 p90 -148.44 160.58 42.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.641 ' NZ ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -126.06 146.67 49.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.663 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.572 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 53.3 p-10 -114.47 108.46 16.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 99.0 m-85 -97.34 -6.75 33.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.157 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.6 74.67 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HD2' ' A' ' 79' ' ' ARG . 99.7 mttt -115.41 -28.42 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 1.126 ' CE2' HD21 ' A' ' 111' ' ' LEU . 52.4 p90 -157.97 161.03 38.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.996 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 89.0 tt0 -114.76 125.6 53.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.728 HG22 ' HB ' ' A' ' 82' ' ' VAL . 47.1 pt -130.81 137.9 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.451 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' A' ' 53' ' ' TYR . 20.1 ptp180 -140.12 157.13 46.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 111.08 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 86' ' ' ALA . 8.6 mp -112.45 133.2 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.254 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.717 ' HA ' ' HZ3' ' A' ' 71' ' ' LYS . 67.1 m -133.03 177.38 7.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.55 ' OD1' ' N ' ' A' ' 67' ' ' SER . 47.6 p30 -72.15 -169.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.458 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.46 ' HA ' ' HD3' ' A' ' 85' ' ' LYS . 32.4 p80 -56.36 -24.55 44.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.504 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.55 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 78.7 p -123.01 91.92 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.962 0.41 . . . . 0.0 110.248 179.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.558 ' HB1' ' CZ ' ' A' ' 72' ' ' TYR . . . -63.9 -39.78 94.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.939 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 72' ' ' TYR . 67.5 t0 -60.96 -43.87 98.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.416 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.625 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 99.1 m-20 -61.58 -42.69 99.22 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.896 -179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.717 ' HZ3' ' HA ' ' A' ' 64' ' ' SER . 63.0 mtpt -66.17 -40.24 90.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.962 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.611 ' HE2' ' HG ' ' A' ' 64' ' ' SER . 52.7 p90 -147.6 162.39 39.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.768 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -102.96 150.59 23.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.247 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -62.55 126.71 28.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.618 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.1 mt -115.69 144.75 43.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -79.05 71.73 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.938 0.399 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -64.09 -31.32 72.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.649 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.77 4.59 90.0 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.535 ' HD2' ' O ' ' A' ' 58' ' ' LYS . 22.8 tpp85 -127.2 150.31 49.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.899 HD23 ' NH2' ' A' ' 115' ' ' ARG . 0.1 OUTLIER -54.97 128.48 33.71 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.319 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 80' ' ' LEU . 89.2 mt -119.28 130.99 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.431 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.985 ' CG2' HD11 ' A' ' 117' ' ' ILE . 59.9 t -114.28 122.6 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.647 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.557 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 33.0 m120 -104.65 119.45 39.03 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.638 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.631 HG12 ' HB3' ' A' ' 119' ' ' ALA . 86.4 mt -123.35 128.11 74.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.807 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 64' ' ' SER . 99.3 mttt -76.75 136.15 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.706 -0.398 . . . . 0.0 109.967 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.683 ' CB ' HG21 ' A' ' 94' ' ' ILE . . . -153.78 159.44 41.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.046 0.451 . . . . 0.0 111.125 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.7 t -119.47 147.93 43.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.982 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.529 ' HE3' ' NH2' ' A' ' 18' ' ' ARG . 98.2 mttt -60.71 -40.46 92.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.64 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.842 HD21 ' OE2' ' A' ' 29' ' ' GLU . 7.6 mp -63.87 -39.94 95.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 110.417 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -110.23 23.8 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.583 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.649 ' O ' HG22 ' A' ' 94' ' ' ILE . 93.3 t80 -58.4 -48.52 80.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.74 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 95' ' ' ILE . 58.3 t -62.33 -43.59 98.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.112 0.482 . . . . 0.0 110.274 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -62.52 -43.65 98.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.681 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.902 HD11 ' HZ1' ' A' ' 98' ' ' LYS . 6.3 tp -64.36 -36.42 77.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.105 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.584 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 43.9 pt -73.19 -25.96 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.504 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -64.05 -43.72 94.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.636 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -88.5 -45.73 9.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.431 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.902 ' HZ1' HD11 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -64.48 -40.82 96.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.38 -179.313 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.584 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 8.5 tt -68.24 -40.91 81.86 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.654 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.3 -41.54 96.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.608 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.644 ' NZ ' ' HB2' ' A' ' 119' ' ' ALA . 39.5 pttt -61.93 -32.39 72.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.024 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.591 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 99.1 mt -68.48 -44.42 83.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.098 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 103' ' ' ILE . 34.9 mm -62.11 -47.61 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.37 -44.93 93.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.623 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.598 ' HD3' ' CE1' ' A' ' 114' ' ' TYR . 41.2 ttmt -62.03 -45.16 94.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.403 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.585 HD11 HD23 ' A' ' 111' ' ' LEU . 79.6 mt -62.02 -42.61 95.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.555 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.05 -38.54 83.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.688 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -94.1 -27.69 16.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.164 0.507 . . . . 0.0 109.993 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.905 HD11 ' HG3' ' A' ' 113' ' ' LYS . 24.8 tp -154.88 129.06 8.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.003 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.55 141.08 57.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.632 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 1.126 HD21 ' CE2' ' A' ' 59' ' ' TYR . 3.0 pp -77.08 -16.27 59.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.35 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.493 ' OD1' ' HB3' ' A' ' 59' ' ' TYR . 97.9 m-20 -70.17 -15.3 62.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.273 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.905 ' HG3' HD11 ' A' ' 109' ' ' LEU . 75.1 mmtt -65.13 -38.44 90.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.173 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.867 ' O ' HD21 ' A' ' 80' ' ' LEU . 4.6 m-85 -79.01 118.09 20.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.254 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.899 ' NH2' HD23 ' A' ' 80' ' ' LEU . 6.6 mmp_? -63.27 -39.91 95.93 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.382 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -146.24 120.65 9.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.856 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.985 HD11 ' CG2' ' A' ' 82' ' ' VAL . 38.3 pt -130.92 148.42 33.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.297 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.557 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 50.7 t30 -149.26 116.21 5.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.872 ' CA ' HD13 ' A' ' 126' ' ' ILE . . . -99.06 125.67 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.187 0.517 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.595 ' OG1' ' CB ' ' A' ' 124' ' ' HIS . 72.1 p -82.66 162.91 21.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.701 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.547 ' O ' ' O ' ' A' ' 120' ' ' THR . 99.2 m-20 -42.21 174.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.709 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.418 ' HG ' ' CD1' ' A' ' 94' ' ' ILE . 87.8 mt -61.03 -40.32 93.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.2 -34.79 78.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.1 0.476 . . . . 0.0 109.941 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.595 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 79.7 m80 -85.14 164.99 17.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.224 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.53 ' O ' ' OG1' ' A' ' 120' ' ' THR . 97.9 m-20 -97.65 158.64 15.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 111.006 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.897 ' O ' HG23 ' A' ' 139' ' ' VAL . 0.2 OUTLIER -108.96 130.02 62.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.947 -179.412 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.747 ' N ' HD12 ' A' ' 126' ' ' ILE . 10.0 mptt -120.46 151.61 39.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.353 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.705 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 51.4 t -131.96 129.25 39.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.622 ' CE2' ' HD3' ' A' ' 137' ' ' LYS . 97.5 m-85 -107.91 130.5 55.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.845 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -59.3 -50.27 74.65 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.399 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.585 ' NZ ' ' HD3' ' A' ' 134' ' ' LYS . 3.1 pttm -119.46 19.1 12.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.131 0.491 . . . . 0.0 109.796 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.486 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.96 -13.43 67.68 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.016 -1.233 . . . . 0.0 110.016 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 87.9 t80 -162.54 116.9 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.585 ' HD3' ' NZ ' ' A' ' 131' ' ' LYS . 35.1 ttpt 176.28 164.05 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.884 0.374 . . . . 0.0 110.855 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 10.9 t -68.5 -23.97 64.62 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.796 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.545 ' HB3' ' CE ' ' A' ' 134' ' ' LYS . 23.9 tptm -90.45 115.38 27.57 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.996 0.427 . . . . 0.0 110.578 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.622 ' HD3' ' CE2' ' A' ' 129' ' ' TYR . 56.0 mtmt -142.71 154.75 44.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.486 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.538 ' OE1' ' OH ' ' A' ' 114' ' ' TYR . 99.3 mt-10 -115.24 142.05 47.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.319 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.974 ' O ' HD13 ' A' ' 140' ' ' ILE . 11.1 p -130.86 140.75 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.973 0.416 . . . . 0.0 110.687 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.974 HD13 ' O ' ' A' ' 139' ' ' VAL . 25.6 mm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.518 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.509 ' HG3' ' HB2' ' A' ' 3' ' ' TYR . 25.4 ptp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 1.099 ' HB1' ' OD1' ' A' ' 9' ' ' ASN . . . 64.92 9.49 5.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.728 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.509 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 89.1 t80 -60.67 -48.16 83.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.091 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.28 42.35 0.98 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.185 -0.531 . . . . 0.0 111.959 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 51.35 55.03 10.08 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.908 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.534 ' OG ' ' HA ' ' A' ' 9' ' ' ASN . 83.1 p -67.22 162.1 23.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.821 0.343 . . . . 0.0 110.25 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.515 ' HB3' ' HD3' ' A' ' 12' ' ' ARG . 2.6 mpp_? -43.62 89.69 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.161 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' A' ' 6' ' ' SER . 94.0 m-85 50.3 23.43 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.941 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 1.099 ' OD1' ' HB1' ' A' ' 2' ' ' ALA . 79.4 m-20 44.28 -132.65 0.74 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.398 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 t 41.17 -142.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -105.73 9.21 33.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.515 ' HD3' ' HB3' ' A' ' 7' ' ' ARG . 4.6 mmm-85 69.77 32.94 3.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HE2' ' NE ' ' A' ' 14' ' ' ARG . 22.3 ptmt -153.93 156.33 37.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.35 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.542 ' NE ' ' HE2' ' A' ' 13' ' ' LYS . 89.9 mtm180 50.2 44.78 26.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.389 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.2 m -61.85 -40.32 94.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.18 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 14' ' ' ARG . 69.3 m-85 55.15 49.22 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.588 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -61.16 141.0 57.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.535 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' A' ' 21' ' ' LYS . 99.8 mtt180 -130.28 149.15 52.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.524 ' OG ' ' OH ' ' A' ' 26' ' ' TYR . 90.5 p -62.48 -35.87 80.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.684 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.529 ' HB2' ' OH ' ' A' ' 26' ' ' TYR . 57.8 t30 -117.72 -75.52 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.509 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.579 ' HG3' ' N ' ' A' ' 22' ' ' GLN . 26.4 pttm -172.93 -47.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.654 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.579 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 98.5 mt-30 -134.33 144.73 48.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -67.05 -20.54 65.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.355 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HD3' ' C ' ' A' ' 24' ' ' ARG . 4.7 tmt_? -60.48 -42.25 95.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.822 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 54.5 tp10 -60.28 -44.11 95.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.573 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.529 ' OH ' ' HB2' ' A' ' 20' ' ' ASN . 80.4 m-85 -69.57 -39.77 77.16 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.653 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.85 97.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.13 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 5.2 pp0? -73.6 -25.45 60.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.471 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.524 ' OE2' ' HA ' ' A' ' 89' ' ' LEU . 54.0 tp10 -62.06 -42.91 99.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.562 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 96.1 mmm -62.96 -40.48 97.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.92 -40.71 96.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.423 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HD3' ' C ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -61.61 -44.36 97.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.421 179.677 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 91' ' ' PHE . 62.6 tp -61.56 -44.65 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.637 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.86 -39.42 94.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.627 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -60.63 -43.94 96.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.619 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.18 -40.03 92.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.986 ' CE1' HD21 ' A' ' 45' ' ' LEU . 41.5 m-85 -65.94 -35.26 80.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.044 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.582 ' OE1' ' OD1' ' A' ' 39' ' ' ASN . 16.7 tm-20 -59.86 -39.44 85.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.13 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.582 ' OD1' ' OE1' ' A' ' 38' ' ' GLU . 98.0 m-20 -97.88 8.68 44.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -104.88 82.78 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.795 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.05 141.61 58.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.448 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.564 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 92.06 -4.59 78.11 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.581 -0.607 . . . . 0.0 111.581 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.597 ' CD2' ' HB2' ' A' ' 54' ' ' LYS . 95.0 m95 -116.71 138.4 51.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 110.358 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 65.9 m-85 -135.62 147.76 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.715 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.986 HD21 ' CE1' ' A' ' 37' ' ' PHE . 2.7 mp -120.07 143.88 47.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.75 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.565 ' OG ' ' HG3' ' A' ' 49' ' ' LYS . 88.3 p -120.69 140.18 51.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.951 0.405 . . . . 0.0 110.625 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -68.1 -38.96 82.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.673 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.3 tpt -59.11 -46.21 88.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.105 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.611 ' O ' ' N ' ' A' ' 51' ' ' SER . 7.2 ptpp? -121.06 54.42 1.09 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.204 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.602 ' C ' ' O ' ' A' ' 49' ' ' LYS . 59.1 p30 -15.74 82.32 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.611 ' N ' ' O ' ' A' ' 49' ' ' LYS . 97.0 p -155.57 164.19 38.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.561 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.686 ' HB1' ' CE2' ' A' ' 37' ' ' PHE . . . -126.06 141.88 51.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB3' ' CB ' ' A' ' 62' ' ' ARG . 52.2 p90 -151.67 160.84 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.022 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.606 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 34.3 ttpt -133.23 136.36 45.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.784 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -98.6 129.8 45.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.037 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.606 ' CZ ' ' HE3' ' A' ' 54' ' ' LYS . 97.7 m-85 -101.48 -4.34 26.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.12 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.9 -10.76 72.77 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 57.8 mtmt -115.54 -32.3 5.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.952 0.406 . . . . 0.0 110.538 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.688 ' CG ' HD12 ' A' ' 111' ' ' LEU . 53.8 p90 -154.91 161.53 41.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.422 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 1.017 ' O ' HD12 ' A' ' 81' ' ' ILE . 88.9 tt0 -113.99 129.33 56.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.942 0.401 . . . . 0.0 110.963 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.559 HG23 ' CD1' ' A' ' 59' ' ' TYR . 48.1 pt -127.8 138.45 54.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.01 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.654 ' CZ ' ' ND2' ' A' ' 83' ' ' ASN . 51.6 ptt85 -138.81 158.95 43.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.017 0.437 . . . . 0.0 111.158 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.712 HD11 ' CD1' ' A' ' 95' ' ' ILE . 84.1 mt -109.15 144.58 37.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.192 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 91.2 p -147.29 164.09 34.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -56.85 169.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.791 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.49 ' O ' ' HD3' ' A' ' 85' ' ' LYS . 62.1 m170 -61.27 -38.59 87.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.739 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.5 p -68.15 156.07 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.159 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' HA ' ' HB2' ' A' ' 71' ' ' LYS . . . -85.11 14.31 5.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.082 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.5 -44.58 93.07 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.603 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.408 ' HB2' ' HB2' ' A' ' 64' ' ' SER . 34.4 m120 -97.17 -0.99 45.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.742 0.306 . . . . 0.0 110.801 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.588 ' O ' ' NH2' ' A' ' 62' ' ' ARG . 41.2 ttmt -61.76 -43.39 98.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.906 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -76.84 143.37 39.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.634 ' CE1' ' O ' ' A' ' 75' ' ' LEU . 21.2 t-160 -118.17 120.33 37.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.136 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.598 ' OD1' ' N ' ' A' ' 75' ' ' LEU . 53.8 p-10 -62.66 -33.24 74.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.173 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.634 ' O ' ' CE1' ' A' ' 73' ' ' HIS . 87.6 mt -114.85 144.67 43.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.804 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -99.57 134.6 42.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.426 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 60' ' ' GLU . 58.8 t30 -82.0 -12.02 58.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.803 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.9 2.7 90.63 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 58' ' ' LYS . 56.9 mmm-85 -129.55 155.38 45.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.297 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.89 HD11 ' CA ' ' A' ' 115' ' ' ARG . 3.8 mm? -56.36 141.12 43.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.263 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.017 HD12 ' O ' ' A' ' 60' ' ' GLU . 11.1 tp -131.18 141.92 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.014 HG13 HG22 ' A' ' 117' ' ' ILE . 95.9 t -117.46 125.15 73.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.226 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.654 ' ND2' ' CZ ' ' A' ' 62' ' ' ARG . 32.7 m120 -101.71 126.01 48.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.647 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.059 HD13 ' HG2' ' A' ' 98' ' ' LYS . 84.5 mt -121.95 126.8 74.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 66' ' ' HIS . 64.3 mttp -85.25 131.35 34.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.633 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.829 ' HB2' HD13 ' A' ' 94' ' ' ILE . . . -157.95 140.26 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.585 ' O ' ' N ' ' A' ' 91' ' ' PHE . 83.5 p -74.28 159.73 32.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.355 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 63.1 mttp -63.65 -40.73 97.59 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.689 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.544 HD23 ' C ' ' A' ' 89' ' ' LEU . 9.6 tt -63.12 -44.56 95.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.75 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.508 ' ND2' HD23 ' A' ' 89' ' ' LEU . 33.7 m120 -104.87 16.86 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.512 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.641 ' CZ ' HD12 ' A' ' 63' ' ' LEU . 90.1 t80 -58.96 -49.3 78.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.496 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.806 ' O ' HG22 ' A' ' 95' ' ' ILE . 34.0 m -73.34 -35.56 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.743 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.81 -40.0 93.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.654 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.829 HD13 ' HB2' ' A' ' 86' ' ' ALA . 6.1 tt -65.94 -28.78 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.108 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.806 HG22 ' O ' ' A' ' 92' ' ' VAL . 5.3 tp -57.3 -39.76 69.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.476 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 95' ' ' ILE . 88.9 tt0 -63.29 -49.41 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.606 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.633 ' HB2' HD21 ' A' ' 122' ' ' LEU . 99.4 m-20 -70.81 -39.3 73.14 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.88 0.371 . . . . 0.0 111.555 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 1.059 ' HG2' HD13 ' A' ' 84' ' ' ILE . 0.7 OUTLIER -67.25 -36.25 81.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.088 -179.179 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 95' ' ' ILE . 3.5 mp -57.17 -43.76 82.9 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.224 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.27 -38.36 90.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.205 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 35.2 mmtp -64.91 -39.35 93.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.439 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 99' ' ' LEU . 45.5 pt -77.17 -36.33 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.103 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 99' ' ' LEU . 87.5 mt -62.18 -45.7 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.585 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 88.8 tt0 -63.27 -42.4 99.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.112 0.482 . . . . 0.0 110.045 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.706 ' HD3' HD13 ' A' ' 140' ' ' ILE . 58.3 mtmt -63.87 -40.26 96.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.67 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -73.33 -44.1 55.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.931 -179.283 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.585 ' OD1' ' O ' ' A' ' 104' ' ' GLU . 56.6 p30 -77.88 -4.32 46.13 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.632 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.54 ' HG2' ' OD1' ' A' ' 107' ' ' ASP . 31.7 mmmt -113.17 -32.28 6.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.189 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.985 ' O ' HD12 ' A' ' 109' ' ' LEU . 2.4 pp -157.13 132.5 9.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.7 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.09 146.01 51.23 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.38 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.688 HD12 ' CG ' ' A' ' 59' ' ' TYR . 96.5 mt -79.3 -13.05 59.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.031 0.443 . . . . 0.0 110.265 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.22 -37.83 81.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.364 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -64.33 -39.3 93.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.511 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.841 ' HE1' HD13 ' A' ' 109' ' ' LEU . 93.6 m-85 -78.9 149.99 32.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.586 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.89 ' CA ' HD11 ' A' ' 80' ' ' LEU . 41.6 mmt180 -104.56 -29.34 10.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.239 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.597 ' C ' HD12 ' A' ' 117' ' ' ILE . 90.5 t80 -147.63 127.99 13.95 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.242 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 1.014 HG22 HG13 ' A' ' 82' ' ' VAL . 1.4 mp -126.4 138.37 54.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.049 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 67.0 t30 -137.59 111.3 8.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.46 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.887 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -101.13 132.77 46.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.662 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.612 ' CG2' ' CB ' ' A' ' 124' ' ' HIS . 14.8 m -97.32 162.52 13.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.115 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.609 ' O ' ' O ' ' A' ' 120' ' ' THR . 55.4 t30 -37.95 173.57 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.227 0.537 . . . . 0.0 111.674 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 97' ' ' ASN . 86.6 mt -60.26 -39.52 87.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.437 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.12 -33.84 76.97 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.612 ' CB ' ' CG2' ' A' ' 120' ' ' THR . 80.2 m80 -89.68 165.12 14.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.712 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -98.18 171.02 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.74 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.861 ' C ' HD13 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -107.97 137.04 41.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.002 -179.556 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.775 ' HG2' HG22 ' A' ' 139' ' ' VAL . 98.5 mttt -125.77 150.66 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.752 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.597 ' SG ' ' HB3' ' A' ' 138' ' ' GLU . 30.3 p -135.91 156.09 49.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.445 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.7 m-85 -118.18 133.22 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.028 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.494 ' HD2' ' HG3' ' A' ' 131' ' ' LYS . 77.4 t80 -60.05 -49.14 78.85 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.704 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.529 ' HD2' ' CE ' ' A' ' 134' ' ' LYS . 99.0 mttt -105.07 7.27 33.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 110.096 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.541 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 94.82 -15.61 63.0 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.541 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 85.0 t80 -160.92 115.47 2.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 23.4 ttmm 173.41 164.97 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.543 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.533 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 96.2 m -66.45 -40.98 89.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.081 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -69.0 121.37 16.49 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.015 0.436 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 19.5 ptpt -151.34 158.96 44.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.412 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.737 ' OE1' HD22 ' A' ' 109' ' ' LEU . 88.8 tt0 -117.76 126.87 53.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.898 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.775 HG22 ' HG2' ' A' ' 127' ' ' LYS . 88.5 t -119.83 127.84 75.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.81 ' CD1' HD12 ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.627 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 28.5 ptm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.86 145.9 55.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.568 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.627 ' CE1' ' O ' ' A' ' 1' ' ' MET . 97.3 m-85 -125.25 141.21 52.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.318 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.46 169.99 54.59 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.348 -1.101 . . . . 0.0 110.348 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 61.32 34.16 18.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.732 0.301 . . . . 0.0 110.371 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -118.59 -110.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.404 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -60.96 -41.63 96.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.108 0.48 . . . . 0.0 109.776 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.599 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 53.1 p90 -139.37 121.52 15.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.333 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.549 ' ND2' ' HB3' ' A' ' 11' ' ' TYR . 54.1 p30 -84.38 179.35 7.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.538 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 68.7 m -89.22 -5.48 57.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.288 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' HB3' ' ND2' ' A' ' 9' ' ' ASN . 92.9 t80 -60.09 -47.69 84.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.815 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 29.3 mmt85 -61.69 -39.58 91.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.74 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 10' ' ' SER . 31.0 mtpp 59.6 -97.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.702 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 99.8 mtt180 60.37 36.06 20.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.623 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.4 p -65.99 -22.15 66.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.546 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.584 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 90.9 m-85 -76.41 144.49 39.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.73 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.619 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 53.4 p30 -91.95 8.58 36.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.584 ' NH1' ' O ' ' A' ' 16' ' ' PHE . 1.6 mpp_? 58.3 42.53 21.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.964 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.1 t -99.73 111.3 23.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.879 0.371 . . . . 0.0 110.467 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -63.72 -39.52 94.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.322 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' CG ' ' OE1' ' A' ' 25' ' ' GLU . 2.1 mptp? -98.77 150.62 21.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.087 0.47 . . . . 0.0 111.317 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -81.02 163.53 23.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.701 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.619 ' NH2' ' ND2' ' A' ' 17' ' ' ASN . 12.6 mpt_? -62.72 -20.14 64.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.566 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -59.14 -43.41 92.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.523 ' OE1' ' CG ' ' A' ' 21' ' ' LYS . 88.8 tt0 -61.26 -42.23 98.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.412 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -64.73 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.56 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.18 91.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.575 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -62.98 -39.88 96.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.403 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 88' ' ' LYS . 54.5 tp10 -62.03 -42.18 98.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.541 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -62.41 -40.33 96.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.74 -40.13 94.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.368 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.36 -43.78 98.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.533 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.63 -39.85 95.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.29 -40.62 96.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.387 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.29 -44.44 97.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.082 0.467 . . . . 0.0 109.83 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -61.71 -38.07 86.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.279 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.727 ' HB2' HD12 ' A' ' 45' ' ' LEU . 93.7 t80 -58.22 -47.28 84.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.357 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.592 ' OE1' ' ND2' ' A' ' 39' ' ' ASN . 16.7 tm-20 -59.55 -40.36 86.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.919 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.592 ' ND2' ' OE1' ' A' ' 38' ' ' GLU . 34.5 m120 -99.17 12.58 35.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.98 0.419 . . . . 0.0 110.31 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.767 HD22 ' CB ' ' A' ' 43' ' ' TRP . 1.2 mt -94.08 77.08 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.414 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -67.57 129.05 38.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.538 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 83.08 2.3 90.58 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.767 ' CB ' HD22 ' A' ' 40' ' ' LEU . 93.4 m95 -119.15 144.16 46.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.659 0.266 . . . . 0.0 110.713 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 80.2 m-85 -131.99 143.74 50.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.646 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 52' ' ' ALA . 92.0 mt -115.03 135.28 54.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.648 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 40.4 t -120.51 128.28 52.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.138 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.46 ' HA ' ' OD1' ' A' ' 50' ' ' ASP . 48.0 t -63.45 -45.15 92.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.3 tpt -61.09 -44.36 97.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.358 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.624 ' O ' ' N ' ' A' ' 51' ' ' SER . 75.5 mmtt -112.66 38.7 2.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.378 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 49' ' ' LYS . 97.4 m-20 -13.56 79.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.628 0.58 . . . . 0.0 111.078 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.7 t -156.71 147.51 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.062 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.85 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -113.29 140.04 48.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.712 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.589 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 53.7 p90 -148.44 159.04 44.43 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.322 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.64 ' CD ' ' CZ ' ' A' ' 56' ' ' PHE . 41.1 ttmt -117.0 126.65 53.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.894 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -101.29 104.8 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.737 ' CD1' ' CZ ' ' A' ' 59' ' ' TYR . 70.9 m-85 -86.83 -10.98 52.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 109.952 178.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.94 -9.58 77.4 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm -112.68 -30.56 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.277 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.901 ' CG ' HD22 ' A' ' 111' ' ' LEU . 55.1 p90 -153.99 161.67 41.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -117.42 129.08 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.14 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 48.2 pt -126.08 136.39 60.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.6 179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.91 ' NH1' ' HB1' ' A' ' 68' ' ' ALA . 8.9 ptm180 -140.81 155.64 46.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.535 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.865 HD13 ' CG2' ' A' ' 94' ' ' ILE . 89.1 mt -112.96 127.6 56.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.129 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.538 ' O ' ' O ' ' A' ' 65' ' ' ASN . 70.4 m -137.51 160.03 40.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.543 ' H ' ' NZ ' ' A' ' 71' ' ' LYS . 51.7 t30 -55.84 -145.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.738 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.457 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 52.1 p-80 -59.95 -24.72 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 91.7 p -134.14 149.57 51.07 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.479 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.91 ' HB1' ' NH1' ' A' ' 62' ' ' ARG . . . -114.54 -33.92 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.44 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.04 -39.58 92.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.016 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -60.32 -46.77 88.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.713 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.55 ' O ' ' HD2' ' A' ' 49' ' ' LYS . 98.1 mttt -64.21 -40.54 96.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 110.661 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' A' ' 73' ' ' HIS . 90.2 t80 -146.47 134.96 22.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.803 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.612 ' O ' ' CD2' ' A' ' 72' ' ' TYR . 54.5 p-80 -67.84 165.11 18.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.225 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -88.24 102.09 14.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.787 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.563 ' HB2' ' NE2' ' A' ' 73' ' ' HIS . 66.1 tp -118.66 123.73 45.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.38 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 76' ' ' GLU . 24.8 pt-20 -67.16 124.92 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.345 . . . . 0.0 110.582 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.623 ' ND2' ' NH2' ' A' ' 79' ' ' ARG . 57.6 t30 -100.96 10.58 40.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.67 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.55 2.44 90.62 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.623 ' NH2' ' ND2' ' A' ' 77' ' ' ASN . 96.0 mtm-85 -132.61 159.37 39.73 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.819 HD11 ' HA ' ' A' ' 115' ' ' ARG . 3.6 mm? -56.04 141.37 40.33 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.34 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.6 mt -116.44 128.06 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.083 HG22 ' HB ' ' A' ' 117' ' ' ILE . 66.9 t -117.54 124.39 72.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.298 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -101.75 123.13 45.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.167 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.853 HD13 ' HG2' ' A' ' 98' ' ' LYS . 86.0 mt -118.86 127.48 75.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.036 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.569 ' HE3' ' N ' ' A' ' 68' ' ' ALA . 49.4 mmtm -102.74 130.61 49.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.469 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.565 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -157.13 153.94 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.45 ' HB2' ' HB2' ' A' ' 90' ' ' ASN . 69.2 m -69.76 150.78 46.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.271 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 68.5 mttm -61.57 -39.72 92.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.53 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.771 HD12 ' OD1' ' A' ' 90' ' ' ASN . 3.0 pp -75.41 -20.16 59.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.335 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.771 ' OD1' HD12 ' A' ' 89' ' ' LEU . 98.5 m-20 -100.36 11.87 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.494 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.641 ' O ' HG22 ' A' ' 94' ' ' ILE . 90.1 t80 -58.97 -48.67 80.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 1.104 ' O ' HG22 ' A' ' 95' ' ' ILE . 56.7 t -62.17 -45.62 98.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.946 0.403 . . . . 0.0 110.647 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -62.14 -44.4 96.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.865 ' CG2' HD13 ' A' ' 63' ' ' LEU . 5.8 tp -67.11 -29.71 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.108 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 1.104 HG22 ' O ' ' A' ' 92' ' ' VAL . 9.3 tp -61.96 -30.53 48.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.288 -178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -88.31 -53.94 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.889 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.584 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 30.2 m120 -65.66 -42.64 91.15 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.554 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.853 ' HG2' HD13 ' A' ' 84' ' ' ILE . 17.4 tppt? -65.39 -43.4 90.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.728 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.842 HD13 ' O ' ' A' ' 95' ' ' ILE . 8.2 mp -61.12 -41.5 96.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.181 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.46 -39.62 93.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.335 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 34.7 mmtp -63.29 -39.13 93.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.12 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.581 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -77.39 -41.61 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.708 -179.275 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.868 ' O ' HG22 ' A' ' 106' ' ' ILE . 91.4 mt -61.68 -45.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.54 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -62.47 -45.64 92.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.383 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 102' ' ' ILE . 22.4 ptmt -65.77 -33.35 75.66 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.505 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.868 HG22 ' O ' ' A' ' 103' ' ' ILE . 10.7 tt -70.18 -28.44 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.551 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.47 -39.6 93.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -89.35 -14.6 35.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.259 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.827 HD22 ' OH ' ' A' ' 114' ' ' TYR . 1.9 pp -157.0 164.23 38.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.459 ' N ' HD12 ' A' ' 109' ' ' LEU . 68.4 m-20 -104.38 139.81 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.722 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.901 HD22 ' CG ' ' A' ' 59' ' ' TYR . 10.6 mp -64.48 -24.59 67.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.342 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -58.75 -37.95 77.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.469 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.604 ' N ' ' CD ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -63.65 -39.24 93.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.124 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.827 ' OH ' HD22 ' A' ' 109' ' ' LEU . 22.3 m-30 -77.34 139.08 39.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.246 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.819 ' HA ' HD11 ' A' ' 80' ' ' LEU . 69.6 mtp85 -95.7 -37.69 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.527 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CD1' ' HA3' ' A' ' 132' ' ' GLY . 96.0 m-85 -129.84 128.55 42.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.962 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 1.083 ' HB ' HG22 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -135.5 133.85 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.493 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.582 ' O ' HD12 ' A' ' 126' ' ' ILE . 55.4 t-20 -148.12 111.71 5.02 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.216 -178.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.899 ' HA ' HD13 ' A' ' 126' ' ' ILE . . . -82.82 150.44 26.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.778 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.581 ' OG1' ' CB ' ' A' ' 124' ' ' HIS . 53.0 p -118.86 161.86 19.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.884 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 124' ' ' HIS . 63.2 t30 -38.5 150.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.333 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.22 -35.88 5.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 -179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.4 -34.46 78.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.119 0.485 . . . . 0.0 109.728 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.581 ' CB ' ' OG1' ' A' ' 120' ' ' THR . 98.9 m-70 -87.24 164.12 16.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.755 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.545 ' O ' ' OG1' ' A' ' 120' ' ' THR . 54.3 p30 -97.06 173.97 6.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.899 HD13 ' HA ' ' A' ' 119' ' ' ALA . 2.5 tp -107.1 137.42 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.135 0.493 . . . . 0.0 110.453 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.566 ' H ' HD12 ' A' ' 126' ' ' ILE . 98.5 mttt -119.42 136.06 54.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.608 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.706 ' SG ' ' CG ' ' A' ' 114' ' ' TYR . 52.6 t -135.8 131.29 35.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.787 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.467 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -108.01 131.82 54.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.127 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.801 ' HD2' ' HZ3' ' A' ' 134' ' ' LYS . 86.3 t80 -60.23 -48.68 80.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.803 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.604 ' HB3' ' HZ2' ' A' ' 134' ' ' LYS . 64.6 tttp -105.93 -3.64 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.572 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.574 ' HA3' ' CD1' ' A' ' 116' ' ' PHE . . . 100.68 -17.0 57.16 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.632 ' O ' ' CD1' ' A' ' 133' ' ' PHE . 55.6 p90 -161.63 116.16 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.801 ' HZ3' ' HD2' ' A' ' 130' ' ' TYR . 0.1 OUTLIER 170.75 166.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.833 -179.177 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 11.6 t -68.76 -20.32 64.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.557 ' O ' ' HD3' ' A' ' 134' ' ' LYS . 64.2 tttm -92.31 118.45 30.92 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.117 0.484 . . . . 0.0 110.957 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -150.64 159.01 44.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.346 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.521 ' HG3' ' OH ' ' A' ' 114' ' ' TYR . 79.3 mm-40 -115.65 141.1 48.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.517 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.9 p -138.77 142.72 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.592 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 105' ' ' LYS . 87.4 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.56 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.463 ' O ' ' HD2' ' A' ' 5' ' ' LYS . 63.4 tpp . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.82 92.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -62.12 131.69 50.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.721 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.79 -9.73 76.88 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HD2' ' O ' ' A' ' 1' ' ' MET . 64.4 mttp -107.14 -22.72 12.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.923 0.392 . . . . 0.0 110.52 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.549 ' HB2' ' ND2' ' A' ' 9' ' ' ASN . 49.9 m 51.39 40.81 27.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.509 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 30.5 mmm180 56.1 47.59 19.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.354 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.525 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 94.2 m-85 71.59 98.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.299 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.549 ' ND2' ' HB2' ' A' ' 6' ' ' SER . 34.0 m120 -58.97 137.88 57.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.639 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.454 ' OG ' ' CD1' ' A' ' 11' ' ' TYR . 95.5 p -65.1 -23.4 67.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.88 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' CD1' ' OG ' ' A' ' 10' ' ' SER . 98.3 m-85 -114.77 135.34 54.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.926 0.394 . . . . 0.0 110.969 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -159.96 166.29 30.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.149 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.04 130.24 45.66 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.116 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.469 ' HE ' ' HB3' ' A' ' 16' ' ' PHE . 32.2 tpt180 -101.16 119.43 38.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.854 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t -62.56 -44.55 96.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CZ ' ' OG ' ' A' ' 19' ' ' SER . 90.9 t80 -69.39 127.44 33.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.742 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.49 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 50.8 p30 175.46 20.09 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -123.05 40.53 3.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.989 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.57 ' OG ' ' CZ ' ' A' ' 16' ' ' PHE . 69.7 m -62.45 141.47 58.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.572 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -126.36 149.55 49.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.764 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 98.3 mttt 59.74 -145.79 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.607 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.499 ' O ' ' HD1' ' A' ' 26' ' ' TYR . 88.9 mt-30 -130.0 149.33 51.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.645 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -60.66 -41.62 95.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.775 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.518 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 8.2 tmm_? -59.78 -40.66 88.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.36 -43.42 96.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.515 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.499 ' HD1' ' O ' ' A' ' 22' ' ' GLN . 82.1 m-85 -65.33 -38.69 90.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.493 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.46 94.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.679 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.21 -40.14 96.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.372 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.561 ' OE2' ' O ' ' A' ' 88' ' ' LYS . 54.1 tp10 -62.26 -42.25 99.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 ttp -60.7 -45.19 95.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.49 -40.14 93.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.384 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -61.28 -43.71 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.395 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.55 -43.77 98.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.467 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.4 -42.18 98.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.478 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.15 -39.72 93.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.307 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.663 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.57 -39.34 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.318 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' HB2' HD11 ' A' ' 45' ' ' LEU . 82.3 t80 -58.64 -47.3 84.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.33 -39.84 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.565 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -90.93 12.57 19.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.654 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.932 HD12 ' CD1' ' A' ' 43' ' ' TRP . 1.1 mm? -119.0 80.29 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.566 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 58.7 p30 -67.54 141.6 56.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.376 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.548 ' O ' ' HG3' ' A' ' 54' ' ' LYS . . . 81.53 6.68 88.99 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.932 ' CD1' HD12 ' A' ' 40' ' ' LEU . 92.8 m95 -116.79 143.2 45.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 110.653 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.522 ' O ' ' HA ' ' A' ' 52' ' ' ALA . 68.4 m-85 -130.35 146.85 51.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.844 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.837 HD21 ' HB2' ' A' ' 52' ' ' ALA . 90.5 mt -114.49 141.39 47.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.532 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.7 p -120.07 133.55 55.49 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.247 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.5 p -68.57 -34.96 76.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.376 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.463 ' HA ' ' HE2' ' A' ' 48' ' ' MET . 39.0 mmt -61.94 -41.01 97.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.001 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.9 mtmt -130.27 38.66 3.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.792 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.8 m-20 1.86 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.609 0.568 . . . . 0.0 111.476 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.633 ' N ' ' O ' ' A' ' 49' ' ' LYS . 71.0 m -130.77 150.16 52.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.897 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.837 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -112.82 135.52 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.162 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.591 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 52.6 p90 -147.79 158.16 43.89 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.657 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.609 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . 35.4 ttpt -134.39 137.02 43.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.141 0.496 . . . . 0.0 111.082 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.566 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 58.8 p30 -95.41 140.85 29.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.837 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.605 ' CZ ' ' HE3' ' A' ' 54' ' ' LYS . 98.0 m-85 -112.66 -7.98 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.263 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.499 ' C ' HH12 ' A' ' 79' ' ' ARG . . . 90.52 -11.46 71.39 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HB3' ' OD2' ' A' ' 112' ' ' ASP . 30.7 mtpp -115.62 -30.7 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.006 0.431 . . . . 0.0 110.458 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 1.09 ' CE2' HD21 ' A' ' 111' ' ' LEU . 54.1 p90 -154.81 161.44 41.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.501 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.514 ' HB2' ' HD2' ' A' ' 79' ' ' ARG . 89.0 tt0 -116.11 127.97 55.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.806 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.813 HG22 ' HB ' ' A' ' 82' ' ' VAL . 48.4 pt -127.23 137.52 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.034 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.696 ' C ' HD12 ' A' ' 63' ' ' LEU . 9.1 ptm180 -139.8 155.83 47.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.019 0.438 . . . . 0.0 111.087 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.097 HD11 HD12 ' A' ' 84' ' ' ILE . 7.0 mp -118.17 125.49 50.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.942 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 65' ' ' ASN . 63.0 m -128.37 153.71 46.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 110.767 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.513 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 21.6 m120 -56.22 -158.82 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.461 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.478 ' HE1' ' OG ' ' A' ' 87' ' ' SER . 75.0 m80 -61.78 -39.49 91.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.353 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.0 p -86.77 93.91 9.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.596 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.827 ' HB3' ' HE3' ' A' ' 85' ' ' LYS . . . -105.57 19.26 20.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.115 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.507 ' O ' ' HD2' ' A' ' 72' ' ' TYR . 98.5 m-20 -61.29 -37.6 83.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.448 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.455 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . 98.9 m-20 -81.83 1.72 33.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.257 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.629 ' O ' ' CE1' ' A' ' 73' ' ' HIS . 25.9 pttm -59.65 -20.5 56.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.718 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.507 ' HD2' ' O ' ' A' ' 69' ' ' ASP . 29.5 p90 -65.94 150.14 49.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.009 0.433 . . . . 0.0 110.937 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.629 ' CE1' ' O ' ' A' ' 71' ' ' LYS . 79.2 m80 -137.0 151.76 49.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.175 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.584 ' O ' ' O ' ' A' ' 75' ' ' LEU . 50.1 p30 -81.39 178.43 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.419 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 76' ' ' GLU . 0.3 OUTLIER 53.89 143.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.516 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.665 ' N ' HD12 ' A' ' 75' ' ' LEU . 24.8 pt-20 -71.37 122.42 20.3 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.311 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.615 ' ND2' ' CG ' ' A' ' 79' ' ' ARG . 62.7 t30 -67.12 -32.38 73.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.461 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.64 -1.8 87.17 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.615 ' CG ' ' ND2' ' A' ' 77' ' ' ASN . 10.3 ptp180 -135.98 161.4 35.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.677 0.275 . . . . 0.0 110.362 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.834 ' H ' HD22 ' A' ' 80' ' ' LEU . 1.3 mm? -68.97 143.22 54.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.395 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.628 ' O ' HD12 ' A' ' 117' ' ' ILE . 87.4 mt -119.07 128.37 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.947 ' CG2' HD13 ' A' ' 117' ' ' ILE . 65.1 t -111.45 122.63 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.111 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.54 ' ND2' ' HD2' ' A' ' 71' ' ' LYS . 83.8 m-20 -108.55 130.12 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.653 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.097 HD12 HD11 ' A' ' 63' ' ' LEU . 86.7 mt -121.86 127.94 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.488 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.827 ' HE3' ' HB3' ' A' ' 68' ' ' ALA . 64.2 mttp -102.49 129.46 49.01 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.567 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.811 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -157.82 154.12 27.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.388 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.478 ' OG ' ' HE1' ' A' ' 66' ' ' HIS . 70.8 m -65.72 145.17 56.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.153 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.561 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 26.1 pttm -60.9 -32.65 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.321 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.542 HD12 ' OE1' ' A' ' 29' ' ' GLU . 61.0 tp -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.178 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -102.19 17.6 22.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.448 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.708 ' O ' HG22 ' A' ' 94' ' ' ILE . 91.0 t80 -58.07 -48.71 79.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.395 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' A' ' 95' ' ' ILE . 57.6 t -62.28 -44.61 99.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.394 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.99 -42.45 98.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.811 HG12 ' HB2' ' A' ' 86' ' ' ALA . 3.8 tp -59.54 -29.02 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.126 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 92' ' ' VAL . 88.0 mt -60.72 -45.5 97.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.973 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.546 ' OE1' ' O ' ' A' ' 92' ' ' VAL . 59.9 mp0 -62.64 -46.95 85.84 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.873 -179.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.9 m-20 -71.86 -41.86 67.58 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.923 ' HG2' HG21 ' A' ' 84' ' ' ILE . 2.1 mptp? -68.41 -42.16 79.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.621 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.958 HD13 HD11 ' A' ' 102' ' ' ILE . 1.3 mm? -62.69 -41.86 99.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.02 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.559 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 98.9 m-20 -63.37 -39.84 95.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.739 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 74.5 mmtt -64.29 -39.29 93.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.958 HD11 HD13 ' A' ' 99' ' ' LEU . 44.8 pt -75.34 -37.49 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.987 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.526 ' N ' HG13 ' A' ' 102' ' ' ILE . 89.8 mt -62.16 -47.41 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 0.0 110.614 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.559 ' OE1' ' O ' ' A' ' 100' ' ' ASP . 4.5 mp0 -67.33 -39.38 85.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.773 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.599 ' NZ ' ' SG ' ' A' ' 128' ' ' CYS . 40.9 ttmt -60.41 -45.17 94.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.603 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.774 ' CG1' HD23 ' A' ' 111' ' ' LEU . 77.7 mt -60.86 -42.54 92.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.367 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.02 -41.65 92.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.777 -178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.541 ' HB2' HD13 ' A' ' 109' ' ' LEU . 98.5 mttt -72.95 -38.44 66.75 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.24 0.543 . . . . 0.0 109.731 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.924 HD13 ' N ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -156.98 178.19 10.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.018 179.689 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -90.07 129.41 36.37 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 1.09 HD21 ' CE2' ' A' ' 59' ' ' TYR . 3.7 pp -72.92 -17.32 61.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.966 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.796 ' HA ' HD23 ' A' ' 80' ' ' LEU . 98.2 m-20 -64.09 -22.1 66.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.47 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.284 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.537 ' CZ ' ' OE1' ' A' ' 138' ' ' GLU . 53.1 m-85 -78.83 110.76 14.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.318 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.516 ' HA ' HD12 ' A' ' 80' ' ' LEU . 62.8 ttm-85 -63.05 -43.07 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.721 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.417 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 92.0 t80 -121.04 122.37 39.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.406 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 1.003 HG23 ' SG ' ' A' ' 128' ' ' CYS . 0.5 OUTLIER -127.59 131.28 70.24 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.39 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.478 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 83' ' ' ASN . 66.7 t30 -148.37 113.58 5.54 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.548 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.796 ' HB2' HD12 ' A' ' 126' ' ' ILE . . . -83.0 156.29 23.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.554 ' O ' ' O ' ' A' ' 121' ' ' ASN . 53.1 p -124.99 161.14 27.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.066 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.554 ' O ' ' O ' ' A' ' 120' ' ' THR . 25.3 m120 -39.29 169.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.485 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.68 -39.45 88.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.235 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.599 ' HG3' ' CD2' ' A' ' 124' ' ' HIS . 25.1 pt-20 -67.39 -14.34 62.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.934 179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.599 ' CD2' ' HG3' ' A' ' 123' ' ' GLU . 98.9 m-70 -112.82 158.98 19.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.686 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.533 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.3 m-20 -98.69 170.49 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.684 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.796 HD12 ' HB2' ' A' ' 119' ' ' ALA . 16.9 tt -108.09 133.96 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 110.431 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -120.32 139.08 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.579 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 1.003 ' SG ' HG23 ' A' ' 117' ' ' ILE . 75.5 m -125.75 149.1 48.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.703 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.502 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.3 m-85 -117.54 137.05 52.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.131 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.617 ' CE2' ' HE3' ' A' ' 131' ' ' LYS . 62.3 t80 -60.89 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.617 ' HE3' ' CE2' ' A' ' 130' ' ' TYR . 34.9 mmtp -116.07 12.22 15.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.491 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.502 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 92.33 -13.37 67.37 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.497 ' O ' ' HG3' ' A' ' 134' ' ' LYS . 83.0 t80 -162.53 116.79 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.537 ' NZ ' ' NZ ' ' A' ' 136' ' ' LYS . 6.8 mtpp 171.65 166.5 0.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.698 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 12.7 t -67.31 -25.23 65.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.579 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.537 ' NZ ' ' NZ ' ' A' ' 134' ' ' LYS . 39.2 mtmm -81.77 126.62 32.05 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.127 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -151.33 158.62 44.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.782 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.537 ' OE1' ' CZ ' ' A' ' 114' ' ' TYR . 88.8 tt0 -117.23 129.42 55.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.207 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 126' ' ' ILE . 10.0 p -136.3 140.91 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.689 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.613 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.59 138.57 44.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.525 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.525 ' O ' ' OG ' ' A' ' 6' ' ' SER . 91.4 m-85 54.85 25.9 7.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.781 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.56 -46.56 94.18 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -66.93 -39.89 87.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.306 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.59 ' O ' ' N ' ' A' ' 8' ' ' TYR . 51.2 m 47.66 39.62 10.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.137 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 59.87 -72.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.927 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.59 ' N ' ' O ' ' A' ' 6' ' ' SER . 94.2 t80 -129.77 88.4 2.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.171 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.587 ' O ' ' CB ' ' A' ' 10' ' ' SER . 61.1 t-20 -62.18 -44.61 96.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.587 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 2.9 m 154.31 107.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.555 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 58.42 28.74 17.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.949 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' NH2' ' NE2' ' A' ' 124' ' ' HIS . 41.7 mmt180 56.6 62.01 2.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.462 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 10' ' ' SER . 75.8 mmtt -60.98 147.1 44.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.86 0.362 . . . . 0.0 110.401 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.12 133.33 55.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.762 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 94.3 p -100.02 -122.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.468 ' HD1' ' O ' ' A' ' 17' ' ' ASN . 53.6 p90 -148.84 160.76 42.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 0.0 110.742 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.468 ' O ' ' HD1' ' A' ' 16' ' ' PHE . 87.2 m-20 -83.77 160.9 21.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.703 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -144.97 160.58 41.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.551 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.473 ' HA ' HE21 ' A' ' 22' ' ' GLN . 52.1 m 57.29 32.33 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.435 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -61.9 -41.48 97.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.605 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -78.24 -12.83 60.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.524 ' HB3' ' CG ' ' A' ' 25' ' ' GLU . 1.8 mp0 -81.73 60.05 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.942 0.401 . . . . 0.0 110.609 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -61.44 -42.73 99.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.763 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -60.55 -25.43 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.733 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.524 ' CG ' ' HB3' ' A' ' 22' ' ' GLN . 78.6 mm-40 -62.61 -40.31 96.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.408 . . . . 0.0 110.458 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -67.44 -38.77 85.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.844 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.37 -43.8 98.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.892 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.503 HE21 ' HA ' ' A' ' 25' ' ' GLU . 20.2 pt20 -73.6 -25.43 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.438 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.521 ' OE2' ' C ' ' A' ' 88' ' ' LYS . 54.4 tp10 -62.27 -42.55 99.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.322 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -62.64 -40.4 96.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.482 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.83 -40.4 95.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.321 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.645 ' CZ ' ' O ' ' A' ' 89' ' ' LEU . 79.8 ttt180 -61.61 -43.76 98.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.341 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.93 -39.16 93.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.537 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -61.85 -39.95 93.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -61.0 -44.55 97.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.001 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.899 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -61.66 -39.1 90.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.28 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE1' ' O ' ' A' ' 43' ' ' TRP . 79.3 t80 -58.22 -47.48 83.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.47 -37.92 82.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.791 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -95.72 7.99 44.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.362 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.899 HD23 ' O ' ' A' ' 36' ' ' ALA . 2.1 mm? -111.74 93.58 4.53 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.849 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.9 t0 -67.52 130.7 43.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.802 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 54' ' ' LYS . . . 81.1 17.86 70.97 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.935 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.756 ' CD1' HD12 ' A' ' 40' ' ' LEU . 93.1 m95 -118.25 142.0 47.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.798 0.333 . . . . 0.0 110.755 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 53' ' ' TYR . 81.1 m-85 -134.22 145.65 49.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.756 HD21 ' HB2' ' A' ' 52' ' ' ALA . 92.6 mt -118.7 139.65 51.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.615 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 40.1 t -120.22 128.52 53.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.408 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.0 p -67.12 -37.35 83.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 63.5 mtt -62.95 -40.58 98.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.631 ' O ' ' C ' ' A' ' 50' ' ' ASP . 99.4 mttt -122.17 38.76 4.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.579 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.631 ' C ' ' O ' ' A' ' 49' ' ' LYS . 98.5 m-20 -5.21 75.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.57 0.544 . . . . 0.0 111.094 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 49' ' ' LYS . 48.4 t -149.63 150.27 31.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.859 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.756 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -108.64 138.27 45.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.345 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 44' ' ' TYR . 52.2 p90 -149.99 163.47 38.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.51 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 1.041 ' HD3' HD11 ' A' ' 61' ' ' ILE . 22.0 ptmt -132.49 147.98 52.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -114.89 106.26 13.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.341 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.646 ' CE1' ' CE ' ' A' ' 54' ' ' LYS . 1.4 m-85 -92.51 -9.83 39.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 0.0 110.392 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.63 -9.73 76.77 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -113.46 -31.08 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.463 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.609 ' CD2' HD12 ' A' ' 111' ' ' LEU . 54.2 p90 -154.81 160.92 41.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.603 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.569 ' OE2' ' CD1' ' A' ' 53' ' ' TYR . 51.5 tp10 -121.48 128.23 51.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.615 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.041 HD11 ' HD3' ' A' ' 54' ' ' LYS . 47.3 pt -130.8 137.18 56.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.482 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.661 ' CZ ' ' OD1' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -139.48 157.09 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.103 0.477 . . . . 0.0 110.949 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.872 HD12 ' N ' ' A' ' 63' ' ' LEU . 2.3 mp -112.21 146.94 37.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.863 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.552 ' HB2' ' CD ' ' A' ' 71' ' ' LYS . 99.5 p -142.83 162.78 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.789 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.477 ' HB2' ' HE3' ' A' ' 71' ' ' LYS . 98.8 m-20 -56.27 -159.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.594 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.575 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 86.6 t60 -58.81 -46.51 87.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.308 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.5 p -111.03 136.45 50.03 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.14 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.634 ' O ' ' CD1' ' A' ' 72' ' ' TYR . . . -115.03 23.02 12.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.807 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.501 ' HA ' ' CE1' ' A' ' 72' ' ' TYR . 98.4 m-20 -60.12 -41.52 92.82 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.843 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -102.43 2.83 37.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.857 0.36 . . . . 0.0 110.332 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.552 ' CD ' ' HB2' ' A' ' 64' ' ' SER . 68.9 mttm -102.53 3.55 37.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.438 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 68' ' ' ALA . 51.8 m-85 -70.24 145.49 51.31 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.499 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -105.61 117.61 34.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.515 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.55 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 50.7 p30 -83.36 -176.96 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.709 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.55 ' HB3' ' O ' ' A' ' 74' ' ' ASP . 57.3 tp 74.16 153.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.676 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.517 ' HG3' ' H ' ' A' ' 78' ' ' GLY . 51.4 tp10 -108.02 126.3 52.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.615 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -99.38 3.3 45.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.517 ' H ' ' HG3' ' A' ' 76' ' ' GLU . . . 82.03 2.68 90.63 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.509 ' HD2' ' C ' ' A' ' 78' ' ' GLY . 12.4 mpt_? -118.91 153.24 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.725 0.298 . . . . 0.0 110.447 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.579 ' CD1' ' O ' ' A' ' 114' ' ' TYR . 3.7 mm? -56.64 149.82 16.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.414 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.7 mm -106.99 123.59 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.93 ' HB ' HG22 ' A' ' 61' ' ' ILE . 49.1 t -124.3 124.84 69.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.712 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.661 ' OD1' ' CZ ' ' A' ' 62' ' ' ARG . 98.3 m-20 -106.16 124.28 49.34 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.705 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.815 HG12 ' HB3' ' A' ' 119' ' ' ALA . 86.4 mt -119.1 127.87 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.451 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.575 ' CE ' ' O ' ' A' ' 66' ' ' HIS . 59.8 mtpt -101.86 126.5 48.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.749 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.707 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -162.37 150.79 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.4 m -73.72 148.61 42.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.587 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.521 ' C ' ' OE2' ' A' ' 29' ' ' GLU . 68.4 mttm -62.19 -39.59 93.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.834 0.349 . . . . 0.0 110.332 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.645 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 7.6 mp -62.55 -38.74 91.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.899 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -99.49 16.18 24.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.484 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.832 ' O ' HG23 ' A' ' 95' ' ' ILE . 87.3 t80 -58.6 -48.14 81.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.72 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 95' ' ' ILE . 66.8 t -61.44 -46.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.203 0.525 . . . . 0.0 110.44 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.31 -40.22 95.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.816 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.707 HG12 ' HB2' ' A' ' 86' ' ' ALA . 5.5 tp -70.46 -38.63 74.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.451 -178.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.832 HG23 ' O ' ' A' ' 91' ' ' PHE . 47.3 pt -67.26 -31.6 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.619 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 98.8 mt-10 -65.49 -41.46 93.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.557 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 64.7 t30 -84.45 -46.26 11.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.414 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.758 ' NZ ' HD23 ' A' ' 122' ' ' LEU . 14.4 mptt -64.83 -40.61 95.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.977 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.63 HD23 ' C ' ' A' ' 99' ' ' LEU . 10.2 tt -59.96 -44.13 94.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.973 0.416 . . . . 0.0 109.999 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.99 -39.26 91.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.461 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.577 ' O ' ' CG ' ' A' ' 105' ' ' LYS . 75.6 mmtt -62.54 -38.84 91.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.114 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.599 ' CG1' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -76.0 -45.43 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.648 -179.195 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.859 ' O ' HG22 ' A' ' 106' ' ' ILE . 33.4 mm -62.46 -47.29 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.718 0.294 . . . . 0.0 111.167 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 88.8 tt0 -67.0 -43.92 81.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 110.832 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.984 ' HE3' HD13 ' A' ' 140' ' ' ILE . 47.0 mmtm -64.54 -40.08 94.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.385 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.859 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.7 tt -63.5 -30.92 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.628 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -63.15 -45.07 93.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.412 ' NZ ' ' HG2' ' A' ' 104' ' ' GLU . 38.2 mtmm -73.27 -37.8 66.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.126 0.488 . . . . 0.0 110.242 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.966 ' O ' HD12 ' A' ' 109' ' ' LEU . 1.2 pp -148.52 132.2 16.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.385 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.56 140.12 58.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.929 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.609 HD12 ' CD2' ' A' ' 59' ' ' TYR . 88.3 mt -63.6 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.361 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 64.6 t0 -51.76 -17.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.186 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -64.63 -38.18 90.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.868 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.599 ' OH ' HD13 ' A' ' 109' ' ' LEU . 32.0 m-85 -86.64 122.79 31.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.15 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.554 ' HB2' ' N ' ' A' ' 132' ' ' GLY . 56.6 mmm-85 -63.58 -39.53 94.63 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.355 -0.538 . . . . 0.0 109.633 179.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -150.26 122.89 8.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.193 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 1.015 HG22 ' CB ' ' A' ' 128' ' ' CYS . 33.3 pt -125.85 149.95 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.552 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 51.0 t30 -145.94 112.17 5.77 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.614 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.815 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.16 153.17 24.93 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.93 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.589 ' O ' ' O ' ' A' ' 121' ' ' ASN . 72.1 p -127.82 161.92 27.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.53 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.589 ' O ' ' O ' ' A' ' 120' ' ' THR . 23.4 m120 -39.14 171.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.744 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.758 HD23 ' NZ ' ' A' ' 98' ' ' LYS . 90.9 mt -60.34 -40.4 90.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.434 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.62 -35.7 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.942 0.401 . . . . 0.0 110.02 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.558 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 64.8 m170 -82.13 157.83 23.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.466 ' O ' ' OG1' ' A' ' 120' ' ' THR . 54.3 p30 -97.89 173.92 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.066 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.882 ' O ' HG13 ' A' ' 139' ' ' VAL . 62.9 mt -107.59 128.97 62.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.174 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.473 ' HA ' HG22 ' A' ' 139' ' ' VAL . 19.9 ptmt -141.82 136.07 30.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.248 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 1.015 ' CB ' HG22 ' A' ' 117' ' ' ILE . 31.2 p -137.81 171.87 13.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.471 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.5 m-85 -111.11 135.96 50.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.212 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.79 -48.69 80.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.456 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.545 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 16.7 ptpt -113.84 11.1 17.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.353 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.554 ' N ' ' HB2' ' A' ' 115' ' ' ARG . . . 95.54 -17.21 59.73 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.52 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 81.6 t80 -162.35 116.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.797 ' NZ ' HG22 ' A' ' 135' ' ' THR . 29.6 tptp 174.29 159.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.381 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.797 HG22 ' NZ ' ' A' ' 134' ' ' LYS . 11.4 t -68.01 -9.51 46.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.458 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 35.2 mmtp -98.67 131.48 44.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 26.4 pttm -150.47 158.61 44.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.374 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.536 ' OE1' ' OH ' ' A' ' 114' ' ' TYR . 88.7 tt0 -116.69 124.55 49.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.313 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 126' ' ' ILE . 90.8 t -124.35 128.73 73.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.687 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.984 HD13 ' HE3' ' A' ' 105' ' ' LYS . 90.1 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.576 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 1' ' ' MET . 60.7 ttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.618 ' HB1' ' HG3' ' A' ' 5' ' ' LYS . . . -63.99 142.75 58.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.502 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -119.61 125.84 49.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.81 1.26 90.17 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.618 ' HG3' ' HB1' ' A' ' 2' ' ' ALA . 10.9 ptmm? -151.01 35.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.572 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m -62.34 -39.84 94.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.236 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -81.73 -99.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.939 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.585 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 98.5 m-85 -109.84 12.24 24.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.947 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.566 ' ND2' ' HE2' ' A' ' 5' ' ' LYS . 48.4 t-20 57.14 39.62 28.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.283 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.5 p -70.0 -19.69 63.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.65 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -59.75 -48.22 82.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.609 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' NH1' ' HD2' ' A' ' 5' ' ' LYS . 83.5 mtt85 -76.01 -117.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.585 ' NZ ' ' O ' ' A' ' 8' ' ' TYR . 64.4 mttp 54.22 40.66 31.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.824 0.345 . . . . 0.0 110.499 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.547 ' O ' ' O ' ' A' ' 13' ' ' LYS . 83.7 mtt85 40.06 -171.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.722 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.7 p -156.31 161.94 40.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.354 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -133.75 126.02 29.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.749 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -146.3 103.84 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.501 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.549 HH11 ' N ' ' A' ' 19' ' ' SER . 53.3 tpt85 -136.94 130.07 31.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.976 0.417 . . . . 0.0 110.62 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.549 ' N ' HH11 ' A' ' 18' ' ' ARG . 6.5 t 67.55 86.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.732 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.459 ' O ' ' HB3' ' A' ' 25' ' ' GLU . 29.1 t-20 -84.38 111.47 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 59.7 mtpt 59.12 46.5 13.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.6 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 21' ' ' LYS . 7.5 mm100 70.23 163.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.724 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -64.21 -25.84 68.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.698 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -60.36 -47.05 87.7 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.408 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.562 ' OE2' ' CG ' ' A' ' 29' ' ' GLU . 16.4 tm-20 -64.24 -41.57 96.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.268 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -60.2 -48.73 80.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.32 94.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.535 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.32 -40.64 96.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.484 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.89 ' OE1' HD23 ' A' ' 89' ' ' LEU . 78.2 mm-40 -62.66 -39.33 93.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.528 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.2 -46.76 88.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.31 -40.35 96.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.095 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.475 ' NH2' ' HB ' ' A' ' 92' ' ' VAL . 4.5 tmt_? -61.62 -43.91 97.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.357 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.705 ' HG ' HD13 ' A' ' 45' ' ' LEU . 61.5 tp -61.6 -43.98 97.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.216 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -62.67 -38.56 90.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.251 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.609 ' NZ ' ' ND2' ' A' ' 39' ' ' ASN . 29.6 tptp -59.68 -42.31 92.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.999 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.933 ' O ' HD23 ' A' ' 40' ' ' LEU . . . -60.69 -39.03 87.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.204 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 44' ' ' TYR . 62.2 t80 -57.47 -47.0 83.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.98 -39.8 82.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.994 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.609 ' ND2' ' NZ ' ' A' ' 35' ' ' LYS . 98.5 m-20 -98.22 9.72 42.29 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.933 HD23 ' O ' ' A' ' 36' ' ' ALA . 3.4 mm? -113.12 84.77 2.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 42' ' ' GLY . 66.7 t0 -67.05 132.86 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.766 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.635 ' O ' ' CE3' ' A' ' 43' ' ' TRP . . . 92.75 -5.23 76.5 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.657 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.837 ' CD1' HD12 ' A' ' 40' ' ' LEU . 8.9 m95 -119.57 148.33 43.44 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.571 ' HA ' ' CE1' ' A' ' 37' ' ' PHE . 61.7 m-85 -134.06 148.12 51.0 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.211 -178.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.705 HD13 ' HG ' ' A' ' 33' ' ' LEU . 87.0 mt -137.06 132.61 34.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.45 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.9 m -112.82 127.94 56.31 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.495 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.9 t -66.4 -45.23 80.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.474 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.465 ' HG3' ' HG3' ' A' ' 49' ' ' LYS . 27.3 ptt? -68.52 -29.85 68.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.454 -179.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.63 ' O ' ' N ' ' A' ' 51' ' ' SER . 62.0 mtpt -118.69 39.5 3.48 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.809 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.8 p30 -8.18 76.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.612 0.57 . . . . 0.0 111.037 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.6 t -154.51 154.35 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.367 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.89 ' HB3' ' CG ' ' A' ' 63' ' ' LEU . . . -107.67 130.52 54.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.1 0.476 . . . . 0.0 110.595 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.612 ' CE1' ' NH2' ' A' ' 62' ' ' ARG . 0.5 OUTLIER -107.43 137.64 45.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.25 -179.622 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.698 ' HZ1' HD23 ' A' ' 99' ' ' LEU . 58.3 mtpt -127.03 127.48 44.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.647 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -114.39 121.63 44.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.604 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 97.8 m-85 -113.02 -16.01 12.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.992 0.425 . . . . 0.0 110.401 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.37 -11.36 70.05 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.528 ' HE2' ' OD2' ' A' ' 110' ' ' ASP . 60.6 mtpt -115.62 -29.51 6.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.005 0.431 . . . . 0.0 110.225 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 1.08 ' CZ ' HD21 ' A' ' 111' ' ' LEU . 53.7 p90 -154.95 161.43 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.376 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.594 ' OE1' HD12 ' A' ' 81' ' ' ILE . 16.5 tm-20 -117.58 123.25 45.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.698 HG23 ' HD1' ' A' ' 59' ' ' TYR . 48.7 pt -132.18 138.42 52.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.041 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.612 ' NH2' ' CE1' ' A' ' 53' ' ' TYR . 19.7 ptp180 -136.9 159.07 42.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.359 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.89 ' CG ' ' HB3' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -121.16 140.8 51.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.602 -179.814 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.514 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 49.9 m -127.08 168.21 14.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.122 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -54.83 -173.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.7 m170 -60.8 -39.68 89.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.7 m -71.65 146.12 48.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.224 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.02 23.82 13.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.448 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.473 ' O ' ' HD1' ' A' ' 72' ' ' TYR . 98.6 m-20 -60.49 -38.26 83.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.156 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.426 ' C ' ' H ' ' A' ' 72' ' ' TYR . 34.3 m120 -88.39 1.6 54.37 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.878 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.754 ' HZ2' ' CB ' ' A' ' 83' ' ' ASN . 1.8 tmtp? -72.52 43.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.803 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.473 ' HD1' ' O ' ' A' ' 69' ' ' ASP . 95.4 m-85 -131.01 143.53 50.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.446 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.552 ' HE1' ' CZ ' ' A' ' 62' ' ' ARG . 96.8 m-70 -127.12 126.78 43.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.52 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -62.67 -45.57 92.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.688 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.4 tp -133.57 129.88 37.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -68.38 143.98 54.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.223 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -91.04 1.25 57.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.946 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.81 18.81 79.67 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -129.15 155.97 44.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 110.473 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.075 HD23 ' N ' ' A' ' 81' ' ' ILE . 3.3 tt -56.21 136.46 52.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.203 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.075 ' N ' HD23 ' A' ' 80' ' ' LEU . 11.1 tp -117.08 128.09 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.467 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.916 HG22 ' CG1' ' A' ' 117' ' ' ILE . 53.1 t -126.4 124.59 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.293 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.754 ' CB ' ' HZ2' ' A' ' 71' ' ' LYS . 50.1 t30 -100.64 111.64 23.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.541 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.889 HG12 ' HB3' ' A' ' 119' ' ' ALA . 82.4 mt -113.05 122.88 68.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.321 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.514 ' HA ' ' O ' ' A' ' 64' ' ' SER . 64.3 mttp -77.16 136.33 38.58 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.092 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.82 ' HB2' HD13 ' A' ' 94' ' ' ILE . . . -154.43 160.02 41.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.001 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' PHE . 40.3 t -119.32 141.96 48.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.052 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.522 ' CD ' ' HB3' ' A' ' 29' ' ' GLU . 9.4 ptpp? -57.07 -28.47 62.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.343 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.89 HD23 ' OE1' ' A' ' 29' ' ' GLU . 86.3 mt -64.38 -39.64 94.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.211 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -120.04 30.05 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.732 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.734 ' HE1' HD11 ' A' ' 63' ' ' LEU . 85.9 t80 -58.64 -49.47 77.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.777 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.581 ' O ' HG12 ' A' ' 95' ' ' ILE . 64.6 t -65.61 -43.01 94.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 110.735 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -63.15 -42.57 99.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.207 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.82 HD13 ' HB2' ' A' ' 86' ' ' ALA . 9.9 tt -62.55 -38.23 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.471 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.591 ' O ' ' CG ' ' A' ' 99' ' ' LEU . 42.6 pt -74.11 -25.0 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.548 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.56 -46.41 90.02 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.601 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.544 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 98.7 m-20 -89.85 -36.7 14.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.114 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.568 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 74.8 mmtt -65.55 -40.06 92.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.085 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.698 HD23 ' HZ1' ' A' ' 54' ' ' LYS . 83.0 mt -63.27 -40.62 97.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.837 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.15 -39.52 92.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.402 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 75.9 mmtt -62.73 -38.83 92.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.816 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.828 HG22 HD22 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -76.99 -42.96 32.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.674 -179.275 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 1.059 ' O ' HG22 ' A' ' 106' ' ' ILE . 34.1 mm -61.76 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.31 -43.08 95.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.045 0.45 . . . . 0.0 110.407 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' ' 109' ' ' LEU . 62.2 mtpt -62.88 -39.65 95.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 1.059 HG22 ' O ' ' A' ' 103' ' ' ILE . 16.9 tt -62.64 -27.1 42.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -66.4 -42.88 87.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.474 ' HG3' ' HG ' ' A' ' 109' ' ' LEU . 8.0 ptpp? -89.52 -34.79 16.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.793 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.563 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 3.7 pp -156.47 147.14 21.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.442 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.562 ' CG ' ' CG ' ' A' ' 112' ' ' ASP . 66.0 t0 -84.07 109.97 18.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.903 0.382 . . . . 0.0 110.473 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 1.08 HD21 ' CZ ' ' A' ' 59' ' ' TYR . 1.1 pp -45.13 -14.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.055 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.757 ' HA ' HD12 ' A' ' 80' ' ' LEU . 56.7 p-10 -65.28 -14.29 60.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.908 0.385 . . . . 0.0 110.333 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 112' ' ' ASP . 98.1 mttt -64.9 -38.55 91.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.256 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.712 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 26.1 m-85 -75.61 123.76 26.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.169 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.497 ' HB2' ' HA ' ' A' ' 131' ' ' LYS . 99.4 mtt180 -63.47 -39.47 94.53 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.179 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.451 ' HE1' ' HE2' ' A' ' 71' ' ' LYS . 92.3 t80 -146.61 120.05 9.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 111.406 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.916 ' CG1' HG22 ' A' ' 82' ' ' VAL . 40.4 pt -130.91 150.82 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.581 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 48.3 t-20 -143.81 111.73 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.96 -178.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.889 ' HB3' HG12 ' A' ' 84' ' ' ILE . . . -83.84 156.06 22.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.318 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.611 ' CG2' ' CB ' ' A' ' 124' ' ' HIS . 5.2 m -122.65 161.24 24.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.521 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.553 ' O ' ' O ' ' A' ' 120' ' ' THR . 85.1 m-20 -38.04 167.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.94 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 122' ' ' LEU . 92.0 mt -60.86 -40.32 92.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.991 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.16 -34.4 77.96 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.611 ' CB ' ' CG2' ' A' ' 120' ' ' THR . 80.6 m80 -82.81 165.92 19.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.388 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -96.38 169.14 10.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.25 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 139' ' ' VAL . 16.1 tt -108.93 137.42 41.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 111.123 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -121.53 147.4 45.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.565 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.712 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 53.4 t -134.64 127.06 30.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.666 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.461 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.2 m-85 -110.96 132.06 54.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.375 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -59.81 -49.37 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.594 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 115' ' ' ARG . 3.3 ptmm? -118.04 8.49 12.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.06 0.457 . . . . 0.0 110.204 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.461 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 97.35 -21.68 44.85 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 109.646 -1.381 . . . . 0.0 109.646 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 93.0 m-85 -149.55 115.82 5.77 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 133' ' ' PHE . 39.5 ttmt 174.77 159.49 0.18 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.924 0.393 . . . . 0.0 110.668 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.456 ' N ' ' HG2' ' A' ' 134' ' ' LYS . 77.5 p -69.17 -20.56 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.999 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -90.55 118.46 30.02 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 14.7 ptmm? -151.1 159.02 44.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 128' ' ' CYS . 79.7 mm-40 -114.42 140.68 48.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.094 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 126' ' ' ILE . 11.0 p -136.01 142.38 39.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.876 0.37 . . . . 0.0 110.795 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.728 HG22 ' O ' ' A' ' 140' ' ' ILE . 89.2 mt . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.552 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.614 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 65.3 mtt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.08 94.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 1' ' ' MET . 81.1 m-85 47.49 -151.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.32 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.68 -9.75 76.74 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -106.38 -26.38 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.241 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.5 m 50.68 41.96 26.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.748 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.589 ' O ' ' CB ' ' A' ' 8' ' ' TYR . 12.6 mpt_? 52.14 48.44 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.052 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.589 ' CB ' ' O ' ' A' ' 7' ' ' ARG . 48.9 t80 94.34 -87.31 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.933 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.583 ' OD1' ' O ' ' A' ' 11' ' ' TYR . 27.2 t-20 -149.27 104.5 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.3 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -61.32 -41.83 97.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.809 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.585 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 96.8 m-85 -67.54 152.85 44.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.674 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' ' 11' ' ' TYR . 23.7 tpp180 77.74 73.54 0.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.887 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 16' ' ' PHE . 58.1 mtmt -126.67 146.6 50.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.213 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.482 ' HD2' ' N ' ' A' ' 14' ' ' ARG . 2.5 mpt_? -61.95 -40.2 94.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.771 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.6 p -162.22 -92.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.671 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 13' ' ' LYS . 93.5 m-85 57.97 30.51 19.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.522 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 17' ' ' ASN . 53.7 p30 -90.67 5.24 48.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.515 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -63.01 -39.49 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.52 ' OG ' ' HB2' ' A' ' 23' ' ' ARG . 39.5 t -64.1 138.84 58.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.797 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -146.8 -77.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.436 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -117.1 -24.11 7.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.497 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 26.5 pt20 -66.37 -19.36 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.668 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' HB2' ' OG ' ' A' ' 19' ' ' SER . 7.9 tmm_? -60.15 -41.85 93.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.608 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.568 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 17.2 tpt180 -59.9 -42.51 93.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.544 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.532 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 54.4 tp10 -60.39 -41.37 93.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CD1' ' O ' ' A' ' 22' ' ' GLN . 71.0 m-85 -67.66 -28.5 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.38 89.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.682 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.568 ' OE1' ' O ' ' A' ' 24' ' ' ARG . 26.5 mp0 -63.66 -39.82 95.31 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.17 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.564 ' HG2' ' NH2' ' A' ' 32' ' ' ARG . 98.2 mt-10 -62.72 -39.81 95.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.454 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.5 mtt -63.14 -40.67 98.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 98.4 m-20 -61.79 -41.87 98.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.965 0.412 . . . . 0.0 110.528 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.567 ' NH2' HD23 ' A' ' 89' ' ' LEU . 47.6 mtm105 -68.14 -39.15 82.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 86.5 mt -63.03 -42.08 99.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.435 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 31' ' ' ASP . 24.5 pt-20 -68.71 -38.17 80.03 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.097 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 87.8 tttt -62.46 -45.46 92.96 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.654 ' C ' HD12 ' A' ' 40' ' ' LEU . . . -62.88 -38.68 91.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.425 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' HD1' HD12 ' A' ' 45' ' ' LEU . 93.3 t80 -58.49 -46.04 87.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.72 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -60.96 -41.19 95.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.004 0.43 . . . . 0.0 110.118 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.579 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 38.7 p30 -95.18 12.2 29.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.519 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 36' ' ' ALA . 1.1 mt -104.62 68.79 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.37 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.497 ' O ' ' NZ ' ' A' ' 54' ' ' LYS . 99.0 m-20 -65.08 136.55 56.87 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.073 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.807 ' HA3' ' HZ2' ' A' ' 54' ' ' LYS . . . 81.29 -0.97 86.87 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.406 -0.677 . . . . 0.0 111.406 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.632 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 96.9 m95 -119.46 139.88 51.34 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.251 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.591 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 81.8 m-85 -134.09 137.83 44.87 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.557 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 51' ' ' SER . 3.1 mp -122.65 145.18 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.987 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.537 ' O ' ' HA ' ' A' ' 50' ' ' ASP . 87.8 p -119.77 132.95 55.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.369 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m -66.12 -39.55 90.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.307 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.5 ' HG3' ' HD3' ' A' ' 49' ' ' LYS . 18.1 tpt -60.02 -45.36 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.209 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.616 ' O ' ' C ' ' A' ' 50' ' ' ASP . 3.4 mptp? -123.48 39.18 4.02 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.616 ' C ' ' O ' ' A' ' 49' ' ' LYS . 28.4 t0 0.81 67.72 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.61 0.569 . . . . 0.0 111.535 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 49' ' ' LYS . 70.6 m -129.95 148.94 51.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.719 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 44' ' ' TYR . . . -124.94 147.32 48.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.585 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 44' ' ' TYR . 53.5 p90 -147.81 160.05 43.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.031 0.443 . . . . 0.0 111.101 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.807 ' HZ2' ' HA3' ' A' ' 42' ' ' GLY . 15.3 tppt? -124.23 125.53 44.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.507 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -100.75 101.21 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.712 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.461 ' HD1' ' HG3' ' A' ' 54' ' ' LYS . 1.8 m-85 -98.51 -15.94 19.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.384 . . . . 0.0 110.575 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.33 -10.01 75.67 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.561 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 62.2 mtpt -115.23 -33.74 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.192 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.496 ' HD1' HG23 ' A' ' 61' ' ' ILE . 53.7 p90 -152.86 161.49 42.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.381 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -121.98 128.75 51.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.704 HG22 ' HB ' ' A' ' 82' ' ' VAL . 47.3 pt -127.95 137.23 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.947 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 20.7 ptp180 -140.18 159.16 42.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.11 0.481 . . . . 0.0 111.432 -179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.806 HD13 HG21 ' A' ' 94' ' ' ILE . 90.5 mt -109.25 147.28 32.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.371 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.4 p -148.14 162.19 39.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.983 0.421 . . . . 0.0 110.653 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -64.36 -177.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.639 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -59.2 -46.56 88.11 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.8 t -64.1 139.0 58.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.915 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.667 ' HB2' ' NZ ' ' A' ' 85' ' ' LYS . . . -99.91 22.95 10.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.019 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.605 ' OD1' ' N ' ' A' ' 70' ' ' ASN . 50.9 p-10 -60.24 -36.91 78.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.693 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.605 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 56.4 t30 -104.0 2.68 32.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.367 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.5 ' HD2' ' HE3' ' A' ' 85' ' ' LYS . 63.9 tttm -61.27 -43.27 99.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.002 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -90.85 151.37 21.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.404 . . . . 0.0 110.968 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.769 ' NE2' HD13 ' A' ' 81' ' ' ILE . 31.7 p80 -142.72 159.07 42.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.6 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -98.82 1.21 45.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.069 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.636 ' O ' ' CE1' ' A' ' 73' ' ' HIS . 3.7 mm? -103.92 132.35 50.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.951 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -116.96 138.85 51.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.376 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.561 ' OD1' ' O ' ' A' ' 77' ' ' ASN . 54.0 t-20 -99.77 0.04 40.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.76 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.557 ' O ' ' NE ' ' A' ' 79' ' ' ARG . . . 80.95 3.67 90.59 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.557 ' NE ' ' O ' ' A' ' 78' ' ' GLY . 6.1 mmp_? -120.06 161.02 21.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.745 0.307 . . . . 0.0 110.451 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.878 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.6 OUTLIER -55.61 142.66 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.528 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.769 HD13 ' NE2' ' A' ' 73' ' ' HIS . 88.1 mt -117.22 128.87 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.943 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.83 HG22 ' CG1' ' A' ' 117' ' ' ILE . 48.7 t -118.68 121.22 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.733 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.574 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 33.3 m120 -105.73 121.49 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.061 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.084 ' CG1' ' HB3' ' A' ' 119' ' ' ALA . 3.9 mp -123.67 128.01 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.148 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.667 ' NZ ' ' HB2' ' A' ' 68' ' ' ALA . 99.4 mttt -97.67 132.06 43.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.133 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.529 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -154.53 151.52 28.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.365 . . . . 0.0 110.84 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.58 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 40.7 t -67.26 144.53 55.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.683 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.5 ' HE3' ' OD2' ' A' ' 50' ' ' ASP . 62.6 mtpt -61.21 -39.13 89.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.211 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.567 HD23 ' NH2' ' A' ' 32' ' ' ARG . 89.2 mt -62.59 -39.02 92.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.706 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.58 ' OD1' ' O ' ' A' ' 87' ' ' SER . 53.3 p30 -99.55 23.76 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.556 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.92 ' O ' HG22 ' A' ' 94' ' ' ILE . 87.7 t80 -58.43 -48.81 79.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.81 -43.34 98.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.132 0.491 . . . . 0.0 110.228 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -60.7 -40.81 93.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.023 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.92 HG22 ' O ' ' A' ' 91' ' ' PHE . 7.4 tp -58.14 -29.48 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.453 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.581 ' O ' ' CB ' ' A' ' 99' ' ' LEU . 31.9 mm -62.25 -46.18 97.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.652 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.92 -42.84 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.976 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.8 ' ND2' HD21 ' A' ' 122' ' ' LEU . 64.9 t30 -75.08 -50.97 14.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.732 0.301 . . . . 0.0 111.736 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.693 ' NZ ' HD21 ' A' ' 63' ' ' LEU . 39.2 ttpt -64.17 -43.05 96.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.978 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.729 HD21 HD11 ' A' ' 103' ' ' ILE . 10.4 tt -59.15 -42.67 91.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.102 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.82 -38.86 89.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.617 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.681 ' HB3' ' HZ3' ' A' ' 105' ' ' LYS . 50.6 mmtm -62.56 -39.32 93.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.259 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.97 HG22 HD11 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -71.58 -39.07 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.857 -178.449 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.775 ' O ' HG22 ' A' ' 106' ' ' ILE . 89.5 mt -61.34 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.71 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.55 ' HG2' ' NZ ' ' A' ' 108' ' ' LYS . 88.8 tt0 -65.07 -43.08 93.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 110.533 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.681 ' HZ3' ' HB3' ' A' ' 101' ' ' LYS . 62.8 mttp -63.25 -41.37 99.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.085 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.775 HG22 ' O ' ' A' ' 103' ' ' ILE . 18.3 tt -70.2 -29.81 41.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.639 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.5 -43.79 98.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.496 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.55 ' NZ ' ' HG2' ' A' ' 104' ' ' GLU . 38.4 mtmm -92.39 -29.46 16.3 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.226 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.645 HD13 ' CZ ' ' A' ' 114' ' ' TYR . 3.0 pp -156.74 144.16 19.0 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.28 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.73 144.72 50.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.042 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.97 HD11 HG22 ' A' ' 102' ' ' ILE . 90.8 mt -64.44 -35.85 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.542 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.561 ' OD1' ' O ' ' A' ' 58' ' ' LYS . 98.7 m-20 -61.03 -16.51 44.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.941 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.479 ' HD2' ' HB2' ' A' ' 109' ' ' LEU . 97.9 mttt -63.98 -38.47 91.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.001 0.429 . . . . 0.0 110.023 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.878 ' O ' HD11 ' A' ' 80' ' ' LEU . 49.0 m-85 -81.08 130.97 35.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.161 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.531 ' HD3' ' O ' ' A' ' 131' ' ' LYS . 60.4 ttt85 -63.58 -43.16 97.8 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.618 178.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -148.52 124.43 10.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.83 ' CG1' HG22 ' A' ' 82' ' ' VAL . 28.4 pt -126.94 150.64 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.574 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 48.6 t30 -144.89 114.49 7.2 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.819 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.084 ' HB3' ' CG1' ' A' ' 84' ' ' ILE . . . -83.01 152.31 25.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.881 179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.578 ' OG1' ' O ' ' A' ' 125' ' ' ASP . 70.5 p -127.46 162.25 26.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.759 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.575 ' OD1' ' CB ' ' A' ' 124' ' ' HIS . 48.5 p-10 -59.23 175.19 0.33 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.8 HD21 ' ND2' ' A' ' 97' ' ' ASN . 96.3 mt -62.1 -40.46 95.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.504 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.69 -34.61 78.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.963 0.411 . . . . 0.0 110.641 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.579 ' ND1' ' O ' ' A' ' 125' ' ' ASP . 63.8 t-80 -93.17 164.04 13.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.829 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.579 ' O ' ' ND1' ' A' ' 124' ' ' HIS . 97.9 m-20 -98.26 157.78 15.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.669 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.899 ' O ' HG23 ' A' ' 139' ' ' VAL . 14.7 tt -109.23 138.82 34.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.054 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' A' ' 125' ' ' ASP . 0.6 OUTLIER -127.94 150.5 49.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.717 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.789 ' SG ' HG22 ' A' ' 117' ' ' ILE . 54.0 t -132.43 125.98 32.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.43 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.48 ' HB2' ' HA2' ' A' ' 132' ' ' GLY . 98.1 m-85 -109.7 129.45 55.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.618 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -59.9 -48.97 79.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.446 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 115' ' ' ARG . 37.9 ttmt -117.51 6.8 12.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.135 0.493 . . . . 0.0 110.027 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.48 ' HA2' ' HB2' ' A' ' 129' ' ' TYR . . . 96.9 -21.37 46.48 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.533 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 92.1 m-85 -151.25 115.5 5.05 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.534 ' HE3' ' HB3' ' A' ' 136' ' ' LYS . 31.7 ttpt 174.15 161.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.572 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 10.6 t -68.62 -19.15 64.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.534 ' HB3' ' HE3' ' A' ' 134' ' ' LYS . 88.0 tttt -92.96 117.23 29.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.952 0.406 . . . . 0.0 110.794 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 23.2 pttp -151.32 158.47 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.504 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 128' ' ' CYS . 88.9 tt0 -114.49 128.24 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.212 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.6 p -133.55 142.45 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.885 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.571 ' OXT' HG22 ' A' ' 126' ' ' ILE . 85.4 mt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.524 ' O ' ' HG2' ' A' ' 5' ' ' LYS . . . 55.51 51.39 12.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.573 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.452 ' O ' ' HB3' ' A' ' 6' ' ' SER . 96.8 m-85 -76.59 -15.26 59.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.652 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.612 ' O ' ' CD1' ' A' ' 8' ' ' TYR . . . -61.08 -40.22 98.22 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 21.9 ptmt -62.14 -21.35 64.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.661 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.515 ' OG ' ' CZ ' ' A' ' 7' ' ' ARG . 40.8 t -62.17 139.88 58.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.652 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.515 ' CZ ' ' OG ' ' A' ' 6' ' ' SER . 2.9 mpp_? 71.53 -43.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.613 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 4' ' ' GLY . 84.4 m-85 -65.38 -38.89 91.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.437 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 61.6 t30 57.37 39.97 27.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.341 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -152.68 149.21 28.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.796 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -66.05 136.32 55.85 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.985 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.476 ' HD2' ' HB2' ' A' ' 14' ' ' ARG . 23.9 tpp180 -127.62 120.13 27.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.46 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -101.84 0.75 36.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.025 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.476 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . 83.7 mtp180 -81.02 65.68 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 110.712 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -90.99 -5.08 55.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.541 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.481 ' HD2' ' OG ' ' A' ' 19' ' ' SER . 94.3 m-85 -83.14 143.03 30.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.538 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 98.5 m-20 -98.75 7.82 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.702 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.554 ' NH1' ' CG ' ' A' ' 50' ' ' ASP . 21.8 mtt180 160.03 -35.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.835 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.487 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 83.4 p -70.66 159.39 34.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.755 0.312 . . . . 0.0 110.581 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.559 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 54.5 t-20 -131.07 22.39 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -129.26 -81.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.168 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -132.77 144.5 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.78 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.55 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 43.6 ttm180 -60.61 -43.08 97.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.783 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.582 ' OE2' HD11 ' A' ' 89' ' ' LEU . 16.4 tm-20 -61.15 -41.72 97.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.433 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.487 ' CD1' ' HB3' ' A' ' 19' ' ' SER . 92.0 t80 -59.92 -48.76 80.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.403 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.555 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -61.36 -40.36 93.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.561 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 99.1 mm-40 -63.28 -39.38 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.374 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.559 ' CG ' ' HB3' ' A' ' 88' ' ' LYS . 16.5 tm-20 -63.01 -40.64 98.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.921 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.4 tpt -60.36 -47.96 83.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.156 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.64 ' HB2' ' HZ3' ' A' ' 35' ' ' LYS . 7.5 p-10 -69.42 -39.01 78.13 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.487 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -61.27 -40.15 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.423 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.827 HD11 ' CD2' ' A' ' 45' ' ' LEU . 60.7 tp -59.91 -39.76 86.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.61 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.45 -39.58 88.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.679 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.64 ' HZ3' ' HB2' ' A' ' 31' ' ' ASP . 13.8 mptt -61.72 -39.55 91.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.168 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.952 ' O ' HD13 ' A' ' 40' ' ' LEU . . . -61.13 -39.71 91.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.411 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.71 ' HD1' HD12 ' A' ' 45' ' ' LEU . 92.1 t80 -58.2 -46.61 85.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 tm-20 -59.46 -39.59 84.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.661 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -97.16 15.84 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.12 0.486 . . . . 0.0 110.109 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.952 HD13 ' O ' ' A' ' 36' ' ' ALA . 1.5 mp -109.96 72.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.786 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.1 129.12 38.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.04 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.628 ' O ' ' CE3' ' A' ' 43' ' ' TRP . . . 82.53 2.16 90.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.414 -0.675 . . . . 0.0 111.414 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.637 ' CZ3' ' CZ ' ' A' ' 56' ' ' PHE . 9.3 m95 -123.08 147.34 46.83 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -135.44 145.43 47.21 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.525 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.827 ' CD2' HD11 ' A' ' 33' ' ' LEU . 2.6 mp -129.91 145.3 51.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.287 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.1 m -118.48 129.05 55.15 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.833 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.3 p -81.06 -28.23 35.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.8 ptp -50.75 -29.87 12.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.626 ' O ' ' C ' ' A' ' 50' ' ' ASP . 64.1 tttm -148.64 67.39 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.564 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' A' ' 49' ' ' LYS . 95.6 m-20 0.87 68.11 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.712 0.632 . . . . 0.0 111.294 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 49' ' ' LYS . 47.7 t -150.93 148.71 28.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.206 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.548 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -127.32 152.12 47.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.792 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.544 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 53.5 p90 -143.76 157.74 44.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.03 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.62 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 29.6 mmtp -121.15 145.72 47.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.474 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -114.39 104.26 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.987 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.637 ' CZ ' ' CZ3' ' A' ' 43' ' ' TRP . 97.0 m-85 -96.66 -14.84 21.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.009 0.433 . . . . 0.0 110.276 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.13 -12.03 67.6 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -115.86 -28.08 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.605 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 1.074 ' CE2' HD21 ' A' ' 111' ' ' LEU . 53.0 p90 -154.46 160.92 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.819 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -114.72 127.63 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.74 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.702 HG22 ' HB ' ' A' ' 82' ' ' VAL . 43.6 pt -129.27 138.97 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.95 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.521 ' CD ' ' HE1' ' A' ' 73' ' ' HIS . 9.2 ptm180 -134.77 157.07 47.68 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.154 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.649 HD11 HD12 ' A' ' 84' ' ' ILE . 8.1 mp -106.83 146.78 30.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.033 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 85' ' ' LYS . 90.9 p -148.16 163.23 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.996 0.427 . . . . 0.0 110.913 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.449 ' CG ' ' H ' ' A' ' 66' ' ' HIS . 52.0 t30 -56.35 -168.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.621 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.544 ' O ' ' HD2' ' A' ' 85' ' ' LYS . 62.5 m170 -61.68 -39.7 92.35 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.5 t -64.07 138.08 58.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.623 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.964 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -113.29 23.01 13.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.156 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -71.9 -9.85 58.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.466 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -96.48 3.12 52.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.687 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.964 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 62.6 mtpt -62.06 -40.45 95.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.068 0.461 . . . . 0.0 110.69 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -73.55 132.38 42.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.85 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.563 ' CD2' HG21 ' A' ' 81' ' ' ILE . 99.1 m-70 -108.32 124.89 51.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.744 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.15 -39.34 92.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.9 mt -93.07 143.12 26.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.967 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.597 ' OE2' ' CA ' ' A' ' 78' ' ' GLY . 16.0 tm-20 -90.95 123.93 34.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.142 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -100.16 -21.01 15.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.5 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.597 ' CA ' ' OE2' ' A' ' 76' ' ' GLU . . . 75.0 16.85 80.37 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -129.44 153.63 47.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.61 0.243 . . . . 0.0 110.465 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.773 HD11 ' O ' ' A' ' 114' ' ' TYR . 0.4 OUTLIER -55.98 139.09 47.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.563 HG21 ' CD2' ' A' ' 73' ' ' HIS . 4.2 mp -114.95 127.39 72.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.701 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.933 HG22 ' CD1' ' A' ' 117' ' ' ILE . 53.6 t -116.53 123.13 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.813 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.565 ' O ' ' OD1' ' A' ' 118' ' ' ASN . 84.8 m-20 -103.87 123.16 46.6 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.29 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.716 HG12 ' HB3' ' A' ' 119' ' ' ALA . 84.6 mt -119.27 126.3 75.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.538 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.544 ' HD2' ' O ' ' A' ' 66' ' ' HIS . 57.9 mtmt -101.97 123.48 45.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.369 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.497 ' HB2' HG12 ' A' ' 94' ' ' ILE . . . -161.39 151.95 17.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.536 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.3 p -71.75 159.58 34.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.251 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.559 ' HB3' ' CG ' ' A' ' 29' ' ' GLU . 98.3 mttt -62.83 -40.1 96.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.353 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 89' ' ' LEU . 7.7 mp -63.83 -38.56 91.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.428 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -99.33 17.72 19.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.521 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.758 ' CE2' HD21 ' A' ' 45' ' ' LEU . 87.9 t80 -57.98 -49.22 77.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.544 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 95' ' ' ILE . 8.0 p -71.44 -33.13 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.073 0.463 . . . . 0.0 110.307 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.42 -39.38 94.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.245 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 91' ' ' PHE . 7.1 tp -65.92 -36.76 78.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.497 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 92' ' ' VAL . 44.1 pt -75.38 -24.94 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.879 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.577 ' OE1' ' OD1' ' A' ' 97' ' ' ASN . 16.5 tm-20 -62.05 -45.58 92.91 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.477 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.577 ' OD1' ' OE1' ' A' ' 96' ' ' GLU . 86.4 m-20 -90.86 -36.46 14.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.821 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.897 ' NZ ' ' HB2' ' A' ' 119' ' ' ALA . 59.1 tptt -64.34 -43.43 94.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.967 0.413 . . . . 0.0 110.338 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.577 HD11 ' HB ' ' A' ' 95' ' ' ILE . 85.9 mt -61.89 -41.37 97.81 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.459 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.23 -39.47 94.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.6 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.746 ' C ' ' HZ3' ' A' ' 105' ' ' LYS . 34.7 mmtp -65.72 -40.45 92.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.862 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 99' ' ' LEU . 45.4 pt -72.12 -39.14 64.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.977 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 99' ' ' LEU . 31.1 mm -62.75 -45.57 98.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.826 0.346 . . . . 0.0 110.43 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -64.35 -44.27 91.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.746 ' HZ3' ' C ' ' A' ' 101' ' ' LYS . 37.8 mtmm -63.4 -40.6 97.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.534 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 79.9 mt -61.95 -44.48 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.797 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.64 -39.61 88.91 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.317 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -87.45 -31.04 20.24 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.983 HD13 ' OH ' ' A' ' 114' ' ' TYR . 2.8 pp -157.42 138.68 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.726 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.533 ' HB3' ' OD1' ' A' ' 112' ' ' ASP . 99.0 m-20 -65.65 138.61 58.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.35 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 1.074 HD21 ' CE2' ' A' ' 59' ' ' TYR . 3.4 pp -80.03 -21.04 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.048 0.452 . . . . 0.0 110.146 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.533 ' OD1' ' HB3' ' A' ' 110' ' ' ASP . 60.0 p30 -71.22 -12.86 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.5 ' HG2' ' HB2' ' A' ' 110' ' ' ASP . 31.6 mmmt -64.41 -39.2 93.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.25 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.983 ' OH ' HD13 ' A' ' 109' ' ' LEU . 9.1 m-85 -75.06 133.86 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.241 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 130' ' ' TYR . 57.5 mmm-85 -63.58 -39.64 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.928 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.445 ' HB3' ' HA2' ' A' ' 132' ' ' GLY . 94.3 t80 -145.87 126.53 14.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.105 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.984 HG22 ' HB3' ' A' ' 128' ' ' CYS . 26.6 pt -127.38 151.26 34.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.363 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.565 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 64.9 t30 -147.72 139.17 23.74 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.875 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.897 ' HB2' ' NZ ' ' A' ' 98' ' ' LYS . . . -112.33 154.36 25.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.995 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.576 ' O ' ' O ' ' A' ' 121' ' ' ASN . 71.2 p -127.37 161.33 28.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.467 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.576 ' O ' ' O ' ' A' ' 120' ' ' THR . 55.9 t30 -39.28 169.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.461 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 122' ' ' LEU . 92.4 mt -60.96 -40.34 92.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.409 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.79 -34.1 77.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.105 0.479 . . . . 0.0 109.939 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.547 ' CB ' ' HB ' ' A' ' 120' ' ' THR . 66.3 m170 -78.55 163.46 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.695 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.518 ' O ' ' OG1' ' A' ' 120' ' ' THR . 98.0 m-20 -98.04 162.78 13.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.409 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.808 ' O ' HG23 ' A' ' 139' ' ' VAL . 16.4 tt -109.12 136.22 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.532 ' NZ ' ' CE1' ' A' ' 129' ' ' TYR . 10.3 ptmm? -145.87 141.59 27.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.77 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.984 ' HB3' HG22 ' A' ' 117' ' ' ILE . 72.0 m -131.53 150.65 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.532 ' CE1' ' NZ ' ' A' ' 127' ' ' LYS . 98.9 m-85 -117.83 141.97 47.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.355 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.514 ' O ' ' HG2' ' A' ' 115' ' ' ARG . 76.0 m-85 -63.4 -40.36 97.0 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.706 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.499 ' HA ' ' CG ' ' A' ' 115' ' ' ARG . 16.8 ptpt -117.68 9.97 13.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.982 0.42 . . . . 0.0 110.435 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.445 ' HA2' ' HB3' ' A' ' 116' ' ' PHE . . . 91.63 -12.86 68.2 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.517 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 83.5 t80 -160.91 116.42 2.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' A' ' 135' ' ' THR . 59.8 tptt 174.83 161.06 0.21 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.391 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.539 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 11.4 t -67.7 -10.11 49.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.132 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.452 ' H ' ' HG3' ' A' ' 134' ' ' LYS . 75.5 mmtt -101.49 119.82 39.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.427 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 128' ' ' CYS . 64.9 pttt -150.4 158.74 44.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 127' ' ' LYS . 52.5 tp10 -109.16 129.31 55.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.282 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 126' ' ' ILE . 10.1 p -133.68 139.77 48.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.634 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.788 HD12 HG23 ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.548 179.919 . . . . . . . . 2 2 . 1 stop_ save_